2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine

C10H9ClN4S — CID 62305656

IUPAC2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Sc2cc(Cl)ncn2)n1
InChIInChI=1S/C10H9ClN4S/c1-6-3-7(2)15-10(14-6)16-9-4-8(11)12-5-13-9/h3-5H,1-2H3
InChIKeyLSXVRYJUIYMSSC-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.69
Rot. Bonds2

About 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine

2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine (PubChem CID 62305656) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine
PubChem CID62305656
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Sc2cc(Cl)ncn2)n1
InChIInChI=1S/C10H9ClN4S/c1-6-3-7(2)15-10(14-6)16-9-4-8(11)12-5-13-9/h3-5H,1-2H3
InChIKeyLSXVRYJUIYMSSC-UHFFFAOYSA-N
XLogP2.69
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine (CID 62305656) is 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine is Cc1cc(C)nc(Sc2cc(Cl)ncn2)n1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The InChIKey is LSXVRYJUIYMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-6-3-7(2)15-10(14-6)16-9-4-8(11)12-5-13-9/h3-5H,1-2H3.
What are the key properties of 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine?
2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine has a molecular weight of 252.73 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 62305656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).