4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine

C9H13N3S — CID 102820373

IUPAC4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
SMILESc1cc(SC[C@@H]2CCCN2)ncn1
InChIInChI=1S/C9H13N3S/c1-2-8(11-4-1)6-13-9-3-5-10-7-12-9/h3,5,7-8,11H,1-2,4,6H2/t8-/m0/s1
InChIKeyCILJTWZWYVFGNX-QMMMGPOBSA-N
MW195.29 g/mol
LogP1.32
Rot. Bonds3

About 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine

4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine (PubChem CID 102820373) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
PubChem CID102820373
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
SMILESc1cc(SC[C@@H]2CCCN2)ncn1
InChIInChI=1S/C9H13N3S/c1-2-8(11-4-1)6-13-9-3-5-10-7-12-9/h3,5,7-8,11H,1-2,4,6H2/t8-/m0/s1
InChIKeyCILJTWZWYVFGNX-QMMMGPOBSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]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-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 63697837
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
5-nitro-2-(piperidin-2-ylmethylsulfanyl)pyridine;hydrochloride
CID 71635756
2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97178233
2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
CID 84667853
N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
CID 102820335

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The IUPAC name of 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine (CID 102820373) is 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine is c1cc(SC[C@@H]2CCCN2)ncn1.
What is the InChIKey of 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The InChIKey is CILJTWZWYVFGNX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-8(11-4-1)6-13-9-3-5-10-7-12-9/h3,5,7-8,11H,1-2,4,6H2/t8-/m0/s1.
What are the key properties of 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine has a molecular weight of 195.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 102820373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).