2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C17H22N4O2 — CID 109320543

IUPAC2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C17H22N4O2/c1-4-5-9-18-17-19-12(2)10-15(21-17)16(22)20-13-7-6-8-14(11-13)23-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyZSQQBTHBWANMNA-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.26
Rot. Bonds7

About 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109320543) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109320543
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C17H22N4O2/c1-4-5-9-18-17-19-12(2)10-15(21-17)16(22)20-13-7-6-8-14(11-13)23-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyZSQQBTHBWANMNA-UHFFFAOYSA-N
XLogP3.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.26
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

2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320523
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323620

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109320543) is 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is CCCCNc1nc(C)cc(C(=O)Nc2cccc(OC)c2)n1.
What is the InChIKey of 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZSQQBTHBWANMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-5-9-18-17-19-12(2)10-15(21-17)16(22)20-13-7-6-8-14(11-13)23-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).