CAS
944902-87-8 Purity
96%
944902-87-8 Purity
96%
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Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester
CAS
944903-77-9
Catalog Number
ACM944903779
Category
Other Products
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What is the molecular formula of Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester?
The molecular formula is C13H20N4O2.
What is the molecular weight of Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester?
The molecular weight is 264.32 g/mol.
What is the IUPAC name of Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester?
The IUPAC name is tert-butyl 2-(aminomethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.
What is the InChI of Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester?
The InChI is InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-5-4-9-7-15-11(6-14)16-10(9)8-17/h7H,4-6,8,14H2,1-3H3.
What is the InChIKey of Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester?
The InChIKey is FPRXWIMBOJZSMS-UHFFFAOYSA-N.
What is the canonical SMILES of Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester?
The canonical SMILES is CC(C)(C)OC(=O)N1CCC2=CN=C(N=C2C1)CN.
What is the XLogP3-AA of Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester?
The XLogP3-AA is -0.2.
How many hydrogen bond donor counts does Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester have?
It has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester have?
It has 3 rotatable bond counts.
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