2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine

C10H8ClN3S — CID 91252009

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
SMILESCc1ccnc(Sc2ncccc2Cl)n1
InChIInChI=1S/C10H8ClN3S/c1-7-4-6-13-10(14-7)15-9-8(11)3-2-5-12-9/h2-6H,1H3
InChIKeyNFMKJHUFZBDBPA-UHFFFAOYSA-N
MW237.72 g/mol
LogP2.98
Rot. Bonds2

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine

2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine (PubChem CID 91252009) has the molecular formula C10H8ClN3S and a molecular weight of 237.72 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
PubChem CID91252009
Molecular FormulaC10H8ClN3S
Molecular Weight237.72 g/mol
Exact Mass237.01
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
SMILESCc1ccnc(Sc2ncccc2Cl)n1
InChIInChI=1S/C10H8ClN3S/c1-7-4-6-13-10(14-7)15-9-8(11)3-2-5-12-9/h2-6H,1H3
InChIKeyNFMKJHUFZBDBPA-UHFFFAOYSA-N
XLogP2.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine (CID 91252009) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine is Cc1ccnc(Sc2ncccc2Cl)n1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The InChIKey is NFMKJHUFZBDBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3S/c1-7-4-6-13-10(14-7)15-9-8(11)3-2-5-12-9/h2-6H,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine has a molecular weight of 237.72 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine is sourced from PubChem (CID 91252009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).