2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide

C15H16Cl2N4O — CID 109248417

IUPAC2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-2-3-4-18-15-19-8-10(9-20-15)14(22)21-13-6-11(16)5-12(17)7-13/h5-9H,2-4H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyWVNFXIGLBOYRQA-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.25
Rot. Bonds6

About 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide

2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109248417) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
PubChem CID109248417
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-2-3-4-18-15-19-8-10(9-20-15)14(22)21-13-6-11(16)5-12(17)7-13/h5-9H,2-4H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyWVNFXIGLBOYRQA-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.25
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-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
2-(pentylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109263774
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
methyl 3-[[2-(pentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109263813
N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide
CID 109217686
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide (CID 109248417) is 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide is CCCCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is WVNFXIGLBOYRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-2-3-4-18-15-19-8-10(9-20-15)14(22)21-13-6-11(16)5-12(17)7-13/h5-9H,2-4H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide?
2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).