2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide

C18H20N4O2 — CID 146087726

IUPAC2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide
SMILESCCN(C)C(=O)c1cccc(NC(=O)c2ccnc(C3CC3)n2)c1
InChIInChI=1S/C18H20N4O2/c1-3-22(2)18(24)13-5-4-6-14(11-13)20-17(23)15-9-10-19-16(21-15)12-7-8-12/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,23)
InChIKeyYMUSAHZBZJJNNW-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.70
Rot. Bonds5

About 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide

2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 146087726) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide
PubChem CID146087726
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide
SMILESCCN(C)C(=O)c1cccc(NC(=O)c2ccnc(C3CC3)n2)c1
InChIInChI=1S/C18H20N4O2/c1-3-22(2)18(24)13-5-4-6-14(11-13)20-17(23)15-9-10-19-16(21-15)12-7-8-12/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,23)
InChIKeyYMUSAHZBZJJNNW-UHFFFAOYSA-N
XLogP2.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide
CID 86939315
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 75497816
N-[3-[[(2-cyclopropylpyrimidin-4-yl)amino]methyl]phenyl]-3-fluorobenzamide
CID 133297956
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide (CID 146087726) is 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide is CCN(C)C(=O)c1cccc(NC(=O)c2ccnc(C3CC3)n2)c1.
What is the InChIKey of 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is YMUSAHZBZJJNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-22(2)18(24)13-5-4-6-14(11-13)20-17(23)15-9-10-19-16(21-15)12-7-8-12/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,23).
What are the key properties of 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide?
2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 146087726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).