2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine

C9H13N3O2S — CID 71645712

IUPAC2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
SMILESO=S(=O)(CC1CCCN1)c1ncccn1
InChIInChI=1S/C9H13N3O2S/c13-15(14,7-8-3-1-4-10-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2
InChIKeyMNZINBCIWRYRBE-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.00
Rot. Bonds3

About 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine

2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine (PubChem CID 71645712) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
PubChem CID71645712
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
SMILESO=S(=O)(CC1CCCN1)c1ncccn1
InChIInChI=1S/C9H13N3O2S/c13-15(14,7-8-3-1-4-10-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2
InChIKeyMNZINBCIWRYRBE-UHFFFAOYSA-N
XLogP0.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine 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

4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638946
4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638944
2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
CID 97162673
2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165916
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
CID 71645669
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736
(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
4-(pyrrolidin-2-ylmethylsulfonyl)phenol
CID 84702717
2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
CID 97165961

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine?
The IUPAC name of 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine (CID 71645712) is 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine?
The canonical SMILES for 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine is O=S(=O)(CC1CCCN1)c1ncccn1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine?
The InChIKey is MNZINBCIWRYRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-15(14,7-8-3-1-4-10-8)9-11-5-2-6-12-9/h2,5-6,8,10H,1,3-4,7H2.
What are the key properties of 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine?
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine has a molecular weight of 227.29 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine is sourced from PubChem (CID 71645712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).