4-benzyl-6-methylpyrimidin-2-amine

C12H13N3 — CID 45071696

IUPAC4-benzyl-6-methylpyrimidin-2-amine
SMILESCc1cc(Cc2ccccc2)nc(N)n1
InChIInChI=1S/C12H13N3/c1-9-7-11(15-12(13)14-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15)
InChIKeyTZMLUIUTEGKDNI-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.96
Rot. Bonds2

About 4-benzyl-6-methylpyrimidin-2-amine

4-benzyl-6-methylpyrimidin-2-amine (PubChem CID 45071696) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-benzyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-benzyl-6-methylpyrimidin-2-amine
PubChem CID45071696
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-benzyl-6-methylpyrimidin-2-amine
SMILESCc1cc(Cc2ccccc2)nc(N)n1
InChIInChI=1S/C12H13N3/c1-9-7-11(15-12(13)14-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15)
InChIKeyTZMLUIUTEGKDNI-UHFFFAOYSA-N
XLogP1.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-4-phenylpyridin-2-amine
CID 68980923
benzoic acid;4-chloro-6-methylpyrimidin-2-amine
CID 139144561
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
3-benzyl-6-methylpyridazine
CID 89117444
6-benzyl-2-(chloromethyl)pyrimidin-4-amine
CID 96597403
4,6-dimethylpyrimidin-2-amine;phthalic acid
CID 68723987
6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 46861690
1-[3-(4-benzyl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone
CID 95820837
3-[(6-methylpyrimidin-4-yl)methyl]aniline
CID 82469362
5-benzyl-6-chloropyrimidine-2,4-diamine
CID 45071766
3,4-dibenzyl-2,6-dimethylpyridine
CID 139645873
2-benzyl-7-methylimidazo[1,2-a]pyridin-6-amine
CID 82223111

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-benzyl-6-methylpyrimidin-2-amine (CID 45071696) is 4-benzyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-benzyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-benzyl-6-methylpyrimidin-2-amine is Cc1cc(Cc2ccccc2)nc(N)n1.
What is the InChIKey of 4-benzyl-6-methylpyrimidin-2-amine?
The InChIKey is TZMLUIUTEGKDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-7-11(15-12(13)14-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15).
What are the key properties of 4-benzyl-6-methylpyrimidin-2-amine?
4-benzyl-6-methylpyrimidin-2-amine has a molecular weight of 199.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 45071696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).