6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide

C20H19N5O2 — CID 109356477

IUPAC6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)23-15-8-10-16(11-9-15)24-19-12-18(21-13-22-19)20(27)25(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyOFIMXVGUEJBTIU-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.46
Rot. Bonds5

About 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide

6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109356477) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109356477
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)23-15-8-10-16(11-9-15)24-19-12-18(21-13-22-19)20(27)25(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyOFIMXVGUEJBTIU-UHFFFAOYSA-N
XLogP3.46
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356459
6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356489
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109356472
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353616
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-[4-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109346095

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109356477) is 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is OFIMXVGUEJBTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)23-15-8-10-16(11-9-15)24-19-12-18(21-13-22-19)20(27)25(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,26)(H,21,22,24).
What are the key properties of 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109356477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).