6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C23H24N4O2 — CID 109373601

IUPAC6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)NCCCc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C23H24N4O2/c1-16(28)19-11-6-12-20(14-19)27-22-15-21(25-17(2)26-22)23(29)24-13-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,24,29)(H,25,26,27)
InChIKeyBSDBUEICNCMGPE-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.09
Rot. Bonds8

About 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109373601) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109373601
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)NCCCc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C23H24N4O2/c1-16(28)19-11-6-12-20(14-19)27-22-15-21(25-17(2)26-22)23(29)24-13-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,24,29)(H,25,26,27)
InChIKeyBSDBUEICNCMGPE-UHFFFAOYSA-N
XLogP4.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-chloro-4-fluoroanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373594
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
methyl 3-[[6-(3-methoxypropylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 109365289
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849053
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850806
6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849535
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109373601) is 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2cc(C(=O)NCCCc3ccccc3)nc(C)n2)c1.
What is the InChIKey of 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is BSDBUEICNCMGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(28)19-11-6-12-20(14-19)27-22-15-21(25-17(2)26-22)23(29)24-13-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,24,29)(H,25,26,27).
What are the key properties of 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).