2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine

C10H8FN3S — CID 164651311

IUPAC2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine
SMILESCc1cccnc1Sc1ccnc(F)n1
InChIInChI=1S/C10H8FN3S/c1-7-3-2-5-12-9(7)15-8-4-6-13-10(11)14-8/h2-6H,1H3
InChIKeyRRCYQTMBJZCHTM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.47
Rot. Bonds2

About 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine

2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine (PubChem CID 164651311) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine
PubChem CID164651311
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine
SMILESCc1cccnc1Sc1ccnc(F)n1
InChIInChI=1S/C10H8FN3S/c1-7-3-2-5-12-9(7)15-8-4-6-13-10(11)14-8/h2-6H,1H3
InChIKeyRRCYQTMBJZCHTM-UHFFFAOYSA-N
XLogP2.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]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 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine?
The IUPAC name of 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine (CID 164651311) is 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine.
What is the SMILES notation for 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine?
The canonical SMILES for 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine is Cc1cccnc1Sc1ccnc(F)n1.
What is the InChIKey of 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine?
The InChIKey is RRCYQTMBJZCHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S/c1-7-3-2-5-12-9(7)15-8-4-6-13-10(11)14-8/h2-6H,1H3.
What are the key properties of 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine?
2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine has a molecular weight of 221.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]pyrimidine is sourced from PubChem (CID 164651311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).