2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide

C18H22N4O3 — CID 109324147

IUPAC2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C18H22N4O3/c1-12-10-16(17(24)19-8-5-9-25-3)22-18(20-12)21-15-7-4-6-14(11-15)13(2)23/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyPVDGTUNMJHXWGX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.50
Rot. Bonds8

About 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide

2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109324147) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109324147
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C18H22N4O3/c1-12-10-16(17(24)19-8-5-9-25-3)22-18(20-12)21-15-7-4-6-14(11-15)13(2)23/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyPVDGTUNMJHXWGX-UHFFFAOYSA-N
XLogP2.50
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
2-(3-acetylanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330783
2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109324112
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
N-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109323797
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324110
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide (CID 109324147) is 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(C)nc(Nc2cccc(C(C)=O)c2)n1.
What is the InChIKey of 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PVDGTUNMJHXWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-10-16(17(24)19-8-5-9-25-3)22-18(20-12)21-15-7-4-6-14(11-15)13(2)23/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,19,24)(H,20,21,22).
What are the key properties of 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).