6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

C22H22N4O2 — CID 109357655

IUPAC6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ncn2)c1
InChIInChI=1S/C22H22N4O2/c1-14(2)16-7-9-18(10-8-16)26-22(28)20-12-21(24-13-23-20)25-19-6-4-5-17(11-19)15(3)27/h4-14H,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyRIHHBSIOYNJKFG-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.80
Rot. Bonds6

About 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357655) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109357655
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ncn2)c1
InChIInChI=1S/C22H22N4O2/c1-14(2)16-7-9-18(10-8-16)26-22(28)20-12-21(24-13-23-20)25-19-6-4-5-17(11-19)15(3)27/h4-14H,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyRIHHBSIOYNJKFG-UHFFFAOYSA-N
XLogP4.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357619
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357654
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340332
N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109358316
1-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865840
methyl 3-[[6-(phenylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109355850
methyl 3-[[6-(4-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358245
6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645
N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357666

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109357655) is 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ncn2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RIHHBSIOYNJKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(2)16-7-9-18(10-8-16)26-22(28)20-12-21(24-13-23-20)25-19-6-4-5-17(11-19)15(3)27/h4-14H,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).