2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

C14H13Cl2N3O2 — CID 138634227

IUPAC2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc(Cl)n1
InChIInChI=1S/C14H13Cl2N3O2/c1-8(7-20)17-13(21)12-6-11(18-14(16)19-12)9-2-4-10(15)5-3-9/h2-6,8,20H,7H2,1H3,(H,17,21)/t8-/m1/s1
InChIKeyGWWLMFKMCMXUJJ-MRVPVSSYSA-N
MW326.18 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (PubChem CID 138634227) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
PubChem CID138634227
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc(Cl)n1
InChIInChI=1S/C14H13Cl2N3O2/c1-8(7-20)17-13(21)12-6-11(18-14(16)19-12)9-2-4-10(15)5-3-9/h2-6,8,20H,7H2,1H3,(H,17,21)/t8-/m1/s1
InChIKeyGWWLMFKMCMXUJJ-MRVPVSSYSA-N
XLogP2.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-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

2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
CID 138634130
6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 138634434
6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylthiophen-3-yl)pyrimidine-4-carboxamide
CID 142597434
6-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
CID 142597564
2-(3-chloro-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090509
2-(3,5-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 142597541
2-(3,5-dichlorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090481
CID 175798578
CID 175798578
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
2-(3-cyano-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090489
2-(3-cyano-4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 142597546
6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide
CID 155337548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (CID 138634227) is 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is C[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is GWWLMFKMCMXUJJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-8(7-20)17-13(21)12-6-11(18-14(16)19-12)9-2-4-10(15)5-3-9/h2-6,8,20H,7H2,1H3,(H,17,21)/t8-/m1/s1.
What are the key properties of 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 138634227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).