6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide

C22H22N4O2 — CID 112849535

IUPAC6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2cccc(C(C)=O)c2)nc(C)n1)c1ccccc1
InChIInChI=1S/C22H22N4O2/c1-4-26(19-11-6-5-7-12-19)22(28)20-14-21(24-16(3)23-20)25-18-10-8-9-17(13-18)15(2)27/h5-14H,4H2,1-3H3,(H,23,24,25)
InChIKeyOKIGUBFBSYYXLL-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.40
Rot. Bonds6

About 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide

6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112849535) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112849535
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2cccc(C(C)=O)c2)nc(C)n1)c1ccccc1
InChIInChI=1S/C22H22N4O2/c1-4-26(19-11-6-5-7-12-19)22(28)20-14-21(24-16(3)23-20)25-18-10-8-9-17(13-18)15(2)27/h5-14H,4H2,1-3H3,(H,23,24,25)
InChIKeyOKIGUBFBSYYXLL-UHFFFAOYSA-N
XLogP4.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198506
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849522
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373601
N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362029
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487
1-[3-[[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112877552
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 112849535) is 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(Nc2cccc(C(C)=O)c2)nc(C)n1)c1ccccc1.
What is the InChIKey of 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is OKIGUBFBSYYXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-26(19-11-6-5-7-12-19)22(28)20-14-21(24-16(3)23-20)25-18-10-8-9-17(13-18)15(2)27/h5-14H,4H2,1-3H3,(H,23,24,25).
What are the key properties of 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).