4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine

C10H10N4S2 — CID 616622

IUPAC4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine
SMILESCSc1cc(-c2cncnc2SC)ncn1
InChIInChI=1S/C10H10N4S2/c1-15-9-3-8(12-6-13-9)7-4-11-5-14-10(7)16-2/h3-6H,1-2H3
InChIKeyPVFJGJNAGNLMBK-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.38
Rot. Bonds3

About 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine

4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine (PubChem CID 616622) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine.

Molecular Properties

Compound Name4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine
PubChem CID616622
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine
SMILESCSc1cc(-c2cncnc2SC)ncn1
InChIInChI=1S/C10H10N4S2/c1-15-9-3-8(12-6-13-9)7-4-11-5-14-10(7)16-2/h3-6H,1-2H3
InChIKeyPVFJGJNAGNLMBK-UHFFFAOYSA-N
XLogP2.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine?
The IUPAC name of 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine (CID 616622) is 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine.
What is the SMILES notation for 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine?
The canonical SMILES for 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine is CSc1cc(-c2cncnc2SC)ncn1.
What is the InChIKey of 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine?
The InChIKey is PVFJGJNAGNLMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-15-9-3-8(12-6-13-9)7-4-11-5-14-10(7)16-2/h3-6H,1-2H3.
What are the key properties of 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine?
4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine has a molecular weight of 250.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine is sourced from PubChem (CID 616622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).