2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide

C17H22N4O — CID 109360003

IUPAC2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C17H22N4O/c1-4-9-18-16-10-15(20-13(3)21-16)17(22)19-11-14-7-5-12(2)6-8-14/h5-8,10H,4,9,11H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyOTUIRPUXPCJWQF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.85
Rot. Bonds6

About 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide

2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109360003) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109360003
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C17H22N4O/c1-4-9-18-16-10-15(20-13(3)21-16)17(22)19-11-14-7-5-12(2)6-8-14/h5-8,10H,4,9,11H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyOTUIRPUXPCJWQF-UHFFFAOYSA-N
XLogP2.85
TPSA66.91 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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369036
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
N-[2-(dimethylamino)ethyl]-2-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109366171
6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
6-(2-methoxyethylamino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide (CID 109360003) is 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)NCc2ccc(C)cc2)nc(C)n1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is OTUIRPUXPCJWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-9-18-16-10-15(20-13(3)21-16)17(22)19-11-14-7-5-12(2)6-8-14/h5-8,10H,4,9,11H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide?
2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).