N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide

C16H18N4O — CID 109319665

IUPACN-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc(NC2CC2)n1
InChIInChI=1S/C16H18N4O/c1-11-9-14(20-16(18-11)19-13-7-8-13)15(21)17-10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJBRASECMJDTSKS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.29
Rot. Bonds5

About N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide

N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109319665) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109319665
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc(NC2CC2)n1
InChIInChI=1S/C16H18N4O/c1-11-9-14(20-16(18-11)19-13-7-8-13)15(21)17-10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJBRASECMJDTSKS-UHFFFAOYSA-N
XLogP2.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
N-benzyl-2-[(1,1-dioxothiolan-3-yl)amino]-6-methylpyrimidine-4-carboxamide
CID 109327230
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109321942
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109330240
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327217

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide (CID 109319665) is N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2)nc(NC2CC2)n1.
What is the InChIKey of N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is JBRASECMJDTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-9-14(20-16(18-11)19-13-7-8-13)15(21)17-10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide?
N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).