5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine

C16H19ClN4O2S — CID 56662291

IUPAC5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine
SMILESCS(=O)(=O)N1CCN(C(c2ccc(Cl)cc2)c2cncnc2)CC1
InChIInChI=1S/C16H19ClN4O2S/c1-24(22,23)21-8-6-20(7-9-21)16(14-10-18-12-19-11-14)13-2-4-15(17)5-3-13/h2-5,10-12,16H,6-9H2,1H3
InChIKeyCGWPVECOVJZHGM-UHFFFAOYSA-N
MW366.87 g/mol
LogP1.80
Rot. Bonds4

About 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine

5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 56662291) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine
PubChem CID56662291
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine
SMILESCS(=O)(=O)N1CCN(C(c2ccc(Cl)cc2)c2cncnc2)CC1
InChIInChI=1S/C16H19ClN4O2S/c1-24(22,23)21-8-6-20(7-9-21)16(14-10-18-12-19-11-14)13-2-4-15(17)5-3-13/h2-5,10-12,16H,6-9H2,1H3
InChIKeyCGWPVECOVJZHGM-UHFFFAOYSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine (CID 56662291) is 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine is CS(=O)(=O)N1CCN(C(c2ccc(Cl)cc2)c2cncnc2)CC1.
What is the InChIKey of 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is CGWPVECOVJZHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-24(22,23)21-8-6-20(7-9-21)16(14-10-18-12-19-11-14)13-2-4-15(17)5-3-13/h2-5,10-12,16H,6-9H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine?
5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 366.87 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 56662291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).