6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide

C19H25N5O2 — CID 112846868

IUPAC6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2cccc(NC(C)=O)c2)nc(C)n1
InChIInChI=1S/C19H25N5O2/c1-4-5-6-10-20-19(26)17-12-18(22-13(2)21-17)24-16-9-7-8-15(11-16)23-14(3)25/h7-9,11-12H,4-6,10H2,1-3H3,(H,20,26)(H,23,25)(H,21,22,24)
InChIKeyCGCOOYNSICCJRO-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.41
Rot. Bonds8

About 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide

6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide (PubChem CID 112846868) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
PubChem CID112846868
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2cccc(NC(C)=O)c2)nc(C)n1
InChIInChI=1S/C19H25N5O2/c1-4-5-6-10-20-19(26)17-12-18(22-13(2)21-17)24-16-9-7-8-15(11-16)23-14(3)25/h7-9,11-12H,4-6,10H2,1-3H3,(H,20,26)(H,23,25)(H,21,22,24)
InChIKeyCGCOOYNSICCJRO-UHFFFAOYSA-N
XLogP3.41
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850
6-(3-acetamidoanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368688
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846848
6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373601
6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360365
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109361864
6-(2-tert-butylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846836

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide (CID 112846868) is 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(Nc2cccc(NC(C)=O)c2)nc(C)n1.
What is the InChIKey of 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The InChIKey is CGCOOYNSICCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-5-6-10-20-19(26)17-12-18(22-13(2)21-17)24-16-9-7-8-15(11-16)23-14(3)25/h7-9,11-12H,4-6,10H2,1-3H3,(H,20,26)(H,23,25)(H,21,22,24).
What are the key properties of 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).