2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C17H22N4O — CID 109319475

IUPAC2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-12(2)18-16(22)15-10-13(3)19-17(20-15)21(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,18,22)
InChIKeyVTFZIEFVMJTHDV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.56
Rot. Bonds5

About 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109319475) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109319475
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-12(2)18-16(22)15-10-13(3)19-17(20-15)21(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,18,22)
InChIKeyVTFZIEFVMJTHDV-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109328285
2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328260
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
2-[benzyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328208
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328218
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240
6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851607
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109319475) is 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)C)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is VTFZIEFVMJTHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)18-16(22)15-10-13(3)19-17(20-15)21(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,18,22).
What are the key properties of 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).