N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide

C17H22N4O — CID 109296718

IUPACN-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1nccc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-13(2)11-19-17-18-10-9-15(20-17)16(22)21(3)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,18,19,20)
InChIKeyUAROGAWUYRUUMX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.82
Rot. Bonds6

About N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide

N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109296718) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109296718
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1nccc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-13(2)11-19-17-18-10-9-15(20-17)16(22)21(3)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,18,19,20)
InChIKeyUAROGAWUYRUUMX-UHFFFAOYSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
CID 109305113
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305166
N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738
ethyl 4-[[4-[benzyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305222
N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109304481
N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305170
N-benzyl-2-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyrimidine-4-carboxamide
CID 109305128
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
CID 109305153
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306804

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109296718) is N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide is CC(C)CNc1nccc(C(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is UAROGAWUYRUUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(2)11-19-17-18-10-9-15(20-17)16(22)21(3)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,18,19,20).
What are the key properties of N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).