3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole

C10H9ClN4S — CID 83191827

IUPAC3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESCc1cc(-n2nc3c(c2Cl)CSC3)ncn1
InChIInChI=1S/C10H9ClN4S/c1-6-2-9(13-5-12-6)15-10(11)7-3-16-4-8(7)14-15/h2,5H,3-4H2,1H3
InChIKeyGCHHVKPYIVPECL-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.37
Rot. Bonds1

About 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole

3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole (PubChem CID 83191827) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole
PubChem CID83191827
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESCc1cc(-n2nc3c(c2Cl)CSC3)ncn1
InChIInChI=1S/C10H9ClN4S/c1-6-2-9(13-5-12-6)15-10(11)7-3-16-4-8(7)14-15/h2,5H,3-4H2,1H3
InChIKeyGCHHVKPYIVPECL-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole?
The IUPAC name of 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole (CID 83191827) is 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole.
What is the SMILES notation for 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole?
The canonical SMILES for 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole is Cc1cc(-n2nc3c(c2Cl)CSC3)ncn1.
What is the InChIKey of 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole?
The InChIKey is GCHHVKPYIVPECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-6-2-9(13-5-12-6)15-10(11)7-3-16-4-8(7)14-15/h2,5H,3-4H2,1H3.
What are the key properties of 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole?
3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole has a molecular weight of 252.73 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole is sourced from PubChem (CID 83191827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).