4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine

C9H12ClN3S — CID 71639266

IUPAC4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
SMILESCc1cc(Cl)nc(SC2CCNC2)n1
InChIInChI=1S/C9H12ClN3S/c1-6-4-8(10)13-9(12-6)14-7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3
InChIKeyPSDXBVXAPSDHKH-UHFFFAOYSA-N
MW229.74 g/mol
LogP1.89
Rot. Bonds2

About 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine

4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine (PubChem CID 71639266) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
PubChem CID71639266
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
SMILESCc1cc(Cl)nc(SC2CCNC2)n1
InChIInChI=1S/C9H12ClN3S/c1-6-4-8(10)13-9(12-6)14-7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3
InChIKeyPSDXBVXAPSDHKH-UHFFFAOYSA-N
XLogP1.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine 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

4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
CID 102925592
4-chloro-5-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71638126
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine;hydrochloride
CID 71638490
4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 94388352
4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752
4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 71640963
(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine
CID 94844656
2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
CID 102925601
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine (CID 71639266) is 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine is Cc1cc(Cl)nc(SC2CCNC2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine?
The InChIKey is PSDXBVXAPSDHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3S/c1-6-4-8(10)13-9(12-6)14-7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine?
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine has a molecular weight of 229.74 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine is sourced from PubChem (CID 71639266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).