N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

C17H22N4O — CID 109360400

IUPACN-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)C)cc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-12(2)18-16-10-15(19-13(3)20-16)17(22)21(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,18,19,20)
InChIKeyLERRBLKOMSQRLQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.88
Rot. Bonds5

About N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109360400) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109360400
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)C)cc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-12(2)18-16-10-15(19-13(3)20-16)17(22)21(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,18,19,20)
InChIKeyLERRBLKOMSQRLQ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851483
N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109369543
N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369513
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341
N-benzyl-6-(3-chloro-2-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369504
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 115498234
N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360842
N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362083
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109360400) is N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1nc(NC(C)C)cc(C(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is LERRBLKOMSQRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)18-16-10-15(19-13(3)20-16)17(22)21(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,18,19,20).
What are the key properties of N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).