6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide

C20H20ClN3O2S — CID 142597468

IUPAC6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccsc1-c1nc(C(=O)NCC(C)(C)O)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H20ClN3O2S/c1-12-8-9-27-17(12)18-23-15(13-4-6-14(21)7-5-13)10-16(24-18)19(25)22-11-20(2,3)26/h4-10,26H,11H2,1-3H3,(H,22,25)
InChIKeyIHNHBMBWDPXHAM-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.33
Rot. Bonds5

About 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide

6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide (PubChem CID 142597468) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide
PubChem CID142597468
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccsc1-c1nc(C(=O)NCC(C)(C)O)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H20ClN3O2S/c1-12-8-9-27-17(12)18-23-15(13-4-6-14(21)7-5-13)10-16(24-18)19(25)22-11-20(2,3)26/h4-10,26H,11H2,1-3H3,(H,22,25)
InChIKeyIHNHBMBWDPXHAM-UHFFFAOYSA-N
XLogP4.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 138634434
6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 142597563
6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylthiophen-3-yl)pyrimidine-4-carboxamide
CID 142597434
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-(2-hydroxy-2-methylpropyl)-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 142597449
6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135304049
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-4-hydroxy-4-methylpentan-1-one
CID 158336471
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
CID 138634227
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110309064
6-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
CID 142597564

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide (CID 142597468) is 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide is Cc1ccsc1-c1nc(C(=O)NCC(C)(C)O)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide?
The InChIKey is IHNHBMBWDPXHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-12-8-9-27-17(12)18-23-15(13-4-6-14(21)7-5-13)10-16(24-18)19(25)22-11-20(2,3)26/h4-10,26H,11H2,1-3H3,(H,22,25).
What are the key properties of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide?
6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 142597468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).