2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine

C10H15ClN4O2S — CID 79072700

IUPAC2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cnc(Cl)nc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H15ClN4O2S/c1-8-7-12-10(11)13-9(8)14-3-5-15(6-4-14)18(2,16)17/h7H,3-6H2,1-2H3
InChIKeyPZFHEPQPDNMZEK-UHFFFAOYSA-N
MW290.78 g/mol
LogP0.52
Rot. Bonds2

About 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine

2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 79072700) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID79072700
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cnc(Cl)nc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H15ClN4O2S/c1-8-7-12-10(11)13-9(8)14-3-5-15(6-4-14)18(2,16)17/h7H,3-6H2,1-2H3
InChIKeyPZFHEPQPDNMZEK-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine (CID 79072700) is 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine is Cc1cnc(Cl)nc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is PZFHEPQPDNMZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2S/c1-8-7-12-10(11)13-9(8)14-3-5-15(6-4-14)18(2,16)17/h7H,3-6H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 290.78 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 79072700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).