4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine

C10H14ClN3O2S — CID 175662618

IUPAC4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
SMILESCc1nc(Cl)cc(C2CCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C10H14ClN3O2S/c1-7-12-9(5-10(11)13-7)8-3-4-14(6-8)17(2,15)16/h5,8H,3-4,6H2,1-2H3
InChIKeyBHZFAONNZYIYCU-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.19
Rot. Bonds2

About 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine

4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine (PubChem CID 175662618) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
PubChem CID175662618
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
SMILESCc1nc(Cl)cc(C2CCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C10H14ClN3O2S/c1-7-12-9(5-10(11)13-7)8-3-4-14(6-8)17(2,15)16/h5,8H,3-4,6H2,1-2H3
InChIKeyBHZFAONNZYIYCU-UHFFFAOYSA-N
XLogP1.19
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine (CID 175662618) is 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine is Cc1nc(Cl)cc(C2CCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine?
The InChIKey is BHZFAONNZYIYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-7-12-9(5-10(11)13-7)8-3-4-14(6-8)17(2,15)16/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine?
4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine has a molecular weight of 275.76 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 175662618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).