4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one

C17H19ClN4O2 — CID 171849392

IUPAC4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one
SMILESCC(C)Oc1cnc(Cl)nc1N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C17H19ClN4O2/c1-12(2)24-14-10-19-17(18)20-16(14)21-8-9-22(15(23)11-21)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyILVBVUXTXSGFDQ-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one

4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one (PubChem CID 171849392) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one
PubChem CID171849392
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one
SMILESCC(C)Oc1cnc(Cl)nc1N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C17H19ClN4O2/c1-12(2)24-14-10-19-17(18)20-16(14)21-8-9-22(15(23)11-21)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyILVBVUXTXSGFDQ-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one 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

1-(1-methylpyrazol-4-yl)-4-(3-propan-2-yloxypyrazin-2-yl)piperazin-2-one
CID 133455216
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
2-chloro-9-phenyl-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58153911
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 79632513
1-(2-methylphenyl)-4-phenylpiperazin-2-one
CID 91159394
2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one
CID 118055054
1-(4-methylphenyl)-N-[1-(3-oxo-4-phenylpiperazin-1-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 86701221
1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione
CID 117026343
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
CID 137029448

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one?
The IUPAC name of 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one (CID 171849392) is 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one?
The canonical SMILES for 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one is CC(C)Oc1cnc(Cl)nc1N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one?
The InChIKey is ILVBVUXTXSGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12(2)24-14-10-19-17(18)20-16(14)21-8-9-22(15(23)11-21)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one?
4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one has a molecular weight of 346.82 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-propan-2-yloxypyrimidin-4-yl)-1-phenylpiperazin-2-one is sourced from PubChem (CID 171849392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).