6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide

C22H22ClN3O3 — CID 142597563

IUPAC6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC(C)(C)O)cc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H22ClN3O3/c1-22(2,28)13-24-21(27)19-12-18(14-4-8-16(23)9-5-14)25-20(26-19)15-6-10-17(29-3)11-7-15/h4-12,28H,13H2,1-3H3,(H,24,27)
InChIKeyIPMVVDDZPGVRFX-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.97
Rot. Bonds6

About 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide

6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 142597563) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID142597563
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC(C)(C)O)cc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H22ClN3O3/c1-22(2,28)13-24-21(27)19-12-18(14-4-8-16(23)9-5-14)25-20(26-19)15-6-10-17(29-3)11-7-15/h4-12,28H,13H2,1-3H3,(H,24,27)
InChIKeyIPMVVDDZPGVRFX-UHFFFAOYSA-N
XLogP3.97
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 142597468
N-(2-hydroxy-2-methylpropyl)-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 142597449
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide
CID 151161716
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
CID 54854055
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-4-hydroxy-4-methylpentan-1-one
CID 158336471
N-[(E)-(4-chlorophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450793

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 142597563) is 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(-c2nc(C(=O)NCC(C)(C)O)cc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is IPMVVDDZPGVRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-22(2,28)13-24-21(27)19-12-18(14-4-8-16(23)9-5-14)25-20(26-19)15-6-10-17(29-3)11-7-15/h4-12,28H,13H2,1-3H3,(H,24,27).
What are the key properties of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.97, 6 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-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 142597563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).