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

C16H18N4O — CID 109339048

IUPAC6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)9-17-16(21)14-8-15(19-10-18-14)20-13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJTKPKRSJKBZPTF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.29
Rot. Bonds5

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

6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109339048) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109339048
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)9-17-16(21)14-8-15(19-10-18-14)20-13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJTKPKRSJKBZPTF-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

6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271773
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
N-ethyl-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 139297423
N-(1,3-benzodioxol-5-ylmethyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109349324
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109339048) is 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(NC3CC3)ncn2)cc1.
What is the InChIKey of 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is JTKPKRSJKBZPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)9-17-16(21)14-8-15(19-10-18-14)20-13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-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 6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109339048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).