6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide

C21H20N4O2 — CID 109357483

IUPAC6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(C(C)=O)cc2)ncn1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-3-25(18-7-5-4-6-8-18)21(27)19-13-20(23-14-22-19)24-17-11-9-16(10-12-17)15(2)26/h4-14H,3H2,1-2H3,(H,22,23,24)
InChIKeyRHPIUOVXTCRCES-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.09
Rot. Bonds6

About 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide

6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109357483) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109357483
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(C(C)=O)cc2)ncn1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-3-25(18-7-5-4-6-8-18)21(27)19-13-20(23-14-22-19)24-17-11-9-16(10-12-17)15(2)26/h4-14H,3H2,1-2H3,(H,22,23,24)
InChIKeyRHPIUOVXTCRCES-UHFFFAOYSA-N
XLogP4.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357478
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198507
6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109356752
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243578
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356477
6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849535
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198506
N-ethyl-6-methoxy-N-phenylpyrimidine-4-carboxamide
CID 121167323
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide (CID 109357483) is 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(Nc2ccc(C(C)=O)cc2)ncn1)c1ccccc1.
What is the InChIKey of 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is RHPIUOVXTCRCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-25(18-7-5-4-6-8-18)21(27)19-13-20(23-14-22-19)24-17-11-9-16(10-12-17)15(2)26/h4-14H,3H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109357483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).