2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide

C16H18N4O — CID 109247558

IUPAC2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(NC2CC2)nc1)c1ccccc1
InChIInChI=1S/C16H18N4O/c1-2-20(14-6-4-3-5-7-14)15(21)12-10-17-16(18-11-12)19-13-8-9-13/h3-7,10-11,13H,2,8-9H2,1H3,(H,17,18,19)
InChIKeyJMZIXRAARYZKML-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.72
Rot. Bonds5

About 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide

2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109247558) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109247558
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(NC2CC2)nc1)c1ccccc1
InChIInChI=1S/C16H18N4O/c1-2-20(14-6-4-3-5-7-14)15(21)12-10-17-16(18-11-12)19-13-8-9-13/h3-7,10-11,13H,2,8-9H2,1H3,(H,17,18,19)
InChIKeyJMZIXRAARYZKML-UHFFFAOYSA-N
XLogP2.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109266763
5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109195372
2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267626
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (CID 109247558) is 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(NC2CC2)nc1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is JMZIXRAARYZKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-20(14-6-4-3-5-7-14)15(21)12-10-17-16(18-11-12)19-13-8-9-13/h3-7,10-11,13H,2,8-9H2,1H3,(H,17,18,19).
What are the key properties of 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109247558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).