4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine

C9H13N3S — CID 63697837

IUPAC4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
SMILESc1cc(SCC2CCNC2)ncn1
InChIInChI=1S/C9H13N3S/c1-3-10-5-8(1)6-13-9-2-4-11-7-12-9/h2,4,7-8,10H,1,3,5-6H2
InChIKeyLNJUQQGSUYZWBP-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.18
Rot. Bonds3

About 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine

4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine (PubChem CID 63697837) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
PubChem CID63697837
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
SMILESc1cc(SCC2CCNC2)ncn1
InChIInChI=1S/C9H13N3S/c1-3-10-5-8(1)6-13-9-2-4-11-7-12-9/h2,4,7-8,10H,1,3,5-6H2
InChIKeyLNJUQQGSUYZWBP-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(pyrrolidin-3-ylmethylsulfanyl)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

2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
2-chloro-4-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163842
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
4-[[(2S)-oxiran-2-yl]methylsulfanyl]pyrimidine
CID 130493357
5-(pyrrolidin-3-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 62371632
4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637133
4-(2-piperidin-4-ylethyl)pyrimidine
CID 83847210
2-methylsulfanyl-4-(piperidin-4-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71643270
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine (CID 63697837) is 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine is c1cc(SCC2CCNC2)ncn1.
What is the InChIKey of 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine?
The InChIKey is LNJUQQGSUYZWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-3-10-5-8(1)6-13-9-2-4-11-7-12-9/h2,4,7-8,10H,1,3,5-6H2.
What are the key properties of 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine?
4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine has a molecular weight of 195.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 63697837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).