CAS
913322-67-5 Purity
96%
913322-67-5 Purity
96%
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2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl-
CAS
913322-70-0
Catalog Number
ACM913322700
Category
Other Products
Molecular Weight
264.1212
Molecular Formula
C11H10BrN3
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Specification
Synonyms
4-(4-BROMOPHENYL)-5-METHYLPYRIMIDIN-2-AMINE
IUPAC Name
4-(4-bromophenyl)-5-methylpyrimidin-2-amine
Canonical SMILES
CC1=CN=C(N=C1C2=CC=C(C=C2)Br)N
InChI Key
BURIASGCYPGUNH-UHFFFAOYSA-N
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl?
The molecular formula is C11H10BrN3.
When was the structure of 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl created?
The structure was created on December 5, 2007.
What is the computed IUPAC name of 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl?
The computed IUPAC name is 4-(4-bromophenyl)-5-methylpyrimidin-2-amine.
What is the InChI of 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl?
The InChI is InChI=1S/C11H10BrN3/c1-7-6-14-11(13)15-10(7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15).
What is the Canonical SMILES of 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl?
The Canonical SMILES is CC1=CN=C(N=C1C2=CC=C(C=C2)Br)N.
What is the molecular weight of 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl?
The molecular weight is 264.12 g/mol.
How many hydrogen bond donor counts does 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl?
The topological polar surface area is 51.8?2.
Is 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl a canonicalized compound?
Yes, the compound is canonicalized.
How many defined bond stereocenter counts does 2-Pyrimidinamine,4-(4-bromophenyl)-5-methyl have?
It has 0 defined bond stereocenter counts.
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