(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C16H18N4O2S — CID 146127206

IUPAC(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCS(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C16H18N4O2S/c1-23(22)14-5-2-4-13(12-14)15(21)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyFATXFXSXQXXXAL-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.18
Rot. Bonds3

About (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 146127206) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID146127206
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCS(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C16H18N4O2S/c1-23(22)14-5-2-4-13(12-14)15(21)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyFATXFXSXQXXXAL-UHFFFAOYSA-N
XLogP1.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone 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

(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
[3-[3-(methylamino)pyrazin-2-yl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 122555826
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 39074479
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168658

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 146127206) is (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CS(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FATXFXSXQXXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-23(22)14-5-2-4-13(12-14)15(21)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11H2,1H3.
What are the key properties of (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 330.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 146127206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).