2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C18H24N4O — CID 109320439

IUPAC2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)NCc2cccc(C)c2)n1
InChIInChI=1S/C18H24N4O/c1-4-5-9-19-18-21-14(3)11-16(22-18)17(23)20-12-15-8-6-7-13(2)10-15/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyDBTPMNMQAUJMAI-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.24
Rot. Bonds7

About 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109320439) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109320439
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)NCc2cccc(C)c2)n1
InChIInChI=1S/C18H24N4O/c1-4-5-9-19-18-21-14(3)11-16(22-18)17(23)20-12-15-8-6-7-13(2)10-15/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyDBTPMNMQAUJMAI-UHFFFAOYSA-N
XLogP3.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327701
6-methyl-2-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327711
2-(3,5-dimethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327718
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
2-(3-fluoroanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327761
2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320523
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
N-(4-chlorophenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327627
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109320439) is 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is CCCCNc1nc(C)cc(C(=O)NCc2cccc(C)c2)n1.
What is the InChIKey of 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is DBTPMNMQAUJMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-9-19-18-21-14(3)11-16(22-18)17(23)20-12-15-8-6-7-13(2)10-15/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109320439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).