2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide

C20H28N4O — CID 109320526

IUPAC2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-6-7-12-21-19-22-14(2)13-17(24-19)18(25)23-16-10-8-15(9-11-16)20(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,23,25)(H,21,22,24)
InChIKeyABUMJWUZADLJKP-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.55
Rot. Bonds6

About 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide

2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109320526) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109320526
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-6-7-12-21-19-22-14(2)13-17(24-19)18(25)23-16-10-8-15(9-11-16)20(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,23,25)(H,21,22,24)
InChIKeyABUMJWUZADLJKP-UHFFFAOYSA-N
XLogP4.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.55
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

2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392
2-(butylamino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109320536
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine-4-carboxamide
CID 109320582
2-[3-(dimethylamino)propylamino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109325516
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327405
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109320526) is 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide is CCCCNc1nc(C)cc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ABUMJWUZADLJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-6-7-12-21-19-22-14(2)13-17(24-19)18(25)23-16-10-8-15(9-11-16)20(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).