N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide

C15H16Cl2N4O — CID 109297451

IUPACN-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H16Cl2N4O/c1-3-9(2)19-14(22)12-7-8-18-15(20-12)21-13-10(16)5-4-6-11(13)17/h4-9H,3H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyVWXSRCHRYRUAEM-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.06
Rot. Bonds5

About N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide

N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide (PubChem CID 109297451) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide
PubChem CID109297451
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H16Cl2N4O/c1-3-9(2)19-14(22)12-7-8-18-15(20-12)21-13-10(16)5-4-6-11(13)17/h4-9H,3H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyVWXSRCHRYRUAEM-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109297361
N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109297372
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
methyl 4-[[4-(butan-2-ylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297417
N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109297406
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109311340
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
2-(2,6-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319628
2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299885

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide (CID 109297451) is N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide?
The InChIKey is VWXSRCHRYRUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-3-9(2)19-14(22)12-7-8-18-15(20-12)21-13-10(16)5-4-6-11(13)17/h4-9H,3H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).