2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine

C15H20N4 — CID 62747219

IUPAC2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccnc(Cc2ccccn2)n1
InChIInChI=1S/C15H20N4/c1-12(2)10-16-11-14-6-8-18-15(19-14)9-13-5-3-4-7-17-13/h3-8,12,16H,9-11H2,1-2H3
InChIKeyUMNKXOIZZQHWKH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds6

About 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 62747219) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID62747219
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccnc(Cc2ccccn2)n1
InChIInChI=1S/C15H20N4/c1-12(2)10-16-11-14-6-8-18-15(19-14)9-13-5-3-4-7-17-13/h3-8,12,16H,9-11H2,1-2H3
InChIKeyUMNKXOIZZQHWKH-UHFFFAOYSA-N
XLogP2.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62797615
N-[[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749189
N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749359
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 66456614
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476559
N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 116731108
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)hydrazine;dihydrochloride
CID 71300115
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine (CID 62747219) is 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine is CC(C)CNCc1ccnc(Cc2ccccn2)n1.
What is the InChIKey of 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is UMNKXOIZZQHWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(2)10-16-11-14-6-8-18-15(19-14)9-13-5-3-4-7-17-13/h3-8,12,16H,9-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62747219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).