2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide

C17H22N4O — CID 166839536

IUPAC2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide
SMILESCc1cnc(CN)nc1C(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C17H22N4O/c1-12(14-6-4-3-5-7-14)8-9-19-17(22)16-13(2)11-20-15(10-18)21-16/h3-7,11-12H,8-10,18H2,1-2H3,(H,19,22)
InChIKeyLYQZMPBBOHQETE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.17
Rot. Bonds6

About 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide

2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide (PubChem CID 166839536) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide
PubChem CID166839536
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide
SMILESCc1cnc(CN)nc1C(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C17H22N4O/c1-12(14-6-4-3-5-7-14)8-9-19-17(22)16-13(2)11-20-15(10-18)21-16/h3-7,11-12H,8-10,18H2,1-2H3,(H,19,22)
InChIKeyLYQZMPBBOHQETE-UHFFFAOYSA-N
XLogP2.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
N-(3-phenylbutyl)benzamide
CID 62403316
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 164633867
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62986653

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide (CID 166839536) is 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide is Cc1cnc(CN)nc1C(=O)NCCC(C)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide?
The InChIKey is LYQZMPBBOHQETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(14-6-4-3-5-7-14)8-9-19-17(22)16-13(2)11-20-15(10-18)21-16/h3-7,11-12H,8-10,18H2,1-2H3,(H,19,22).
What are the key properties of 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide?
2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166839536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).