2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C16H13Cl2N5O2 — CID 109338127

IUPAC2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)on2)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H13Cl2N5O2/c1-8-5-13(15(24)22-14-6-9(2)25-23-14)21-16(19-8)20-10-3-4-11(17)12(18)7-10/h3-7H,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyRMCMKJHKSYDHIS-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.38
Rot. Bonds4

About 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109338127) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109338127
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Name2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)on2)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H13Cl2N5O2/c1-8-5-13(15(24)22-14-6-9(2)25-23-14)21-16(19-8)20-10-3-4-11(17)12(18)7-10/h3-7H,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyRMCMKJHKSYDHIS-UHFFFAOYSA-N
XLogP4.38
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)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

6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109336610
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109338225
2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109338064
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
2-(3,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320398
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778
2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318283
2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338130
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316127
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(butan-2-ylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109321368

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109338127) is 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cc(C)on2)nc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is RMCMKJHKSYDHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c1-8-5-13(15(24)22-14-6-9(2)25-23-14)21-16(19-8)20-10-3-4-11(17)12(18)7-10/h3-7H,1-2H3,(H,19,20,21)(H,22,23,24).
What are the key properties of 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 378.22 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).