4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine

C10H9ClN2S — CID 82057591

IUPAC4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(C3CC3)csc2n1
InChIInChI=1S/C10H9ClN2S/c1-5-12-9(11)8-7(6-2-3-6)4-14-10(8)13-5/h4,6H,2-3H2,1H3
InChIKeyOORYXDHMURYMHT-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.53
Rot. Bonds1

About 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine

4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine (PubChem CID 82057591) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine
PubChem CID82057591
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(C3CC3)csc2n1
InChIInChI=1S/C10H9ClN2S/c1-5-12-9(11)8-7(6-2-3-6)4-14-10(8)13-5/h4,6H,2-3H2,1H3
InChIKeyOORYXDHMURYMHT-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine (CID 82057591) is 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine is Cc1nc(Cl)c2c(C3CC3)csc2n1.
What is the InChIKey of 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine?
The InChIKey is OORYXDHMURYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-5-12-9(11)8-7(6-2-3-6)4-14-10(8)13-5/h4,6H,2-3H2,1H3.
What are the key properties of 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine?
4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine has a molecular weight of 224.72 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropyl-2-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 82057591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).