2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide

C17H22N4O — CID 109296399

IUPAC2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCCCCNc1nccc(C(=O)Nc2ccc(C)cc2C)n1
InChIInChI=1S/C17H22N4O/c1-4-5-9-18-17-19-10-8-15(21-17)16(22)20-14-7-6-12(2)11-13(14)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyDLFHAFTWDDQXCP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds6

About 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide

2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109296399) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109296399
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCCCCNc1nccc(C(=O)Nc2ccc(C)cc2C)n1
InChIInChI=1S/C17H22N4O/c1-4-5-9-18-17-19-10-8-15(21-17)16(22)20-14-7-6-12(2)11-13(14)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyDLFHAFTWDDQXCP-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.56
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

N-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299687
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
N-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109311111
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
N-(3-chloro-4-methylphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312009
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301218
2-(butylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109296413
2-(butylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109296477
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide (CID 109296399) is 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide is CCCCNc1nccc(C(=O)Nc2ccc(C)cc2C)n1.
What is the InChIKey of 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DLFHAFTWDDQXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-5-9-18-17-19-10-8-15(21-17)16(22)20-14-7-6-12(2)11-13(14)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-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).