6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide

C22H20N4O2 — CID 112851934

IUPAC6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H20N4O2/c1-14(27)15-7-9-17(10-8-15)23-20-13-19(22(28)24-18-11-12-18)25-21(26-20)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyMAXWCDZMYZRQRD-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.98
Rot. Bonds6

About 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide

6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851934) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112851934
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H20N4O2/c1-14(27)15-7-9-17(10-8-15)23-20-13-19(22(28)24-18-11-12-18)25-21(26-20)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyMAXWCDZMYZRQRD-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852193
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851948
6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854257
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 112880138
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide (CID 112851934) is 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2cc(C(=O)NC3CC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is MAXWCDZMYZRQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14(27)15-7-9-17(10-8-15)23-20-13-19(22(28)24-18-11-12-18)25-21(26-20)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).