2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine

C16H15N3 — CID 55112812

IUPAC2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
SMILESCc1nccc(NCc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3/c1-12-17-10-9-16(19-12)18-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyPWWQQEUNPZVAMG-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds3

About 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine

2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine (PubChem CID 55112812) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
PubChem CID55112812
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
SMILESCc1nccc(NCc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3/c1-12-17-10-9-16(19-12)18-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyPWWQQEUNPZVAMG-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 103112013
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 53484185
5-chloro-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 55068293
2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
CID 62370127
6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
CID 62369756
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
N-(furan-3-ylmethyl)-2-methylpyrimidin-4-amine
CID 115657207
3-bromo-5-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 105366894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine (CID 55112812) is 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine is Cc1nccc(NCc2cccc3ccccc23)n1.
What is the InChIKey of 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine?
The InChIKey is PWWQQEUNPZVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-17-10-9-16(19-12)18-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,17,18,19).
What are the key properties of 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine?
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine has a molecular weight of 249.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 55112812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).