1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

C13H16N4 — CID 62997232

IUPAC1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccnc(C)n2)cn1
InChIInChI=1S/C13H16N4/c1-10-3-4-12(8-16-10)7-14-9-13-5-6-15-11(2)17-13/h3-6,8,14H,7,9H2,1-2H3
InChIKeyQMJIOEBMGLREKE-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.78
Rot. Bonds4

About 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (PubChem CID 62997232) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
PubChem CID62997232
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccnc(C)n2)cn1
InChIInChI=1S/C13H16N4/c1-10-3-4-12(8-16-10)7-14-9-13-5-6-15-11(2)17-13/h3-6,8,14H,7,9H2,1-2H3
InChIKeyQMJIOEBMGLREKE-UHFFFAOYSA-N
XLogP1.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzonitrile
CID 47272282
1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 106816664
N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
CID 60960957
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(2-methylpyrimidin-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62747714
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
CID 60960431
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 63002010
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(6-methyl-3-pyridinyl)methanamine
CID 62996570
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (CID 62997232) is 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is Cc1ccc(CNCc2ccnc(C)n2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The InChIKey is QMJIOEBMGLREKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-3-4-12(8-16-10)7-14-9-13-5-6-15-11(2)17-13/h3-6,8,14H,7,9H2,1-2H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is sourced from PubChem (CID 62997232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).