4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

C10H11ClN2S — CID 14878803

IUPAC4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESClc1nc(C2CC2)nc2c1SCCC2
InChIInChI=1S/C10H11ClN2S/c11-9-8-7(2-1-5-14-8)12-10(13-9)6-3-4-6/h6H,1-5H2
InChIKeyNEADNFCXCPVSGZ-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.05
Rot. Bonds1

About 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (PubChem CID 14878803) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
PubChem CID14878803
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESClc1nc(C2CC2)nc2c1SCCC2
InChIInChI=1S/C10H11ClN2S/c11-9-8-7(2-1-5-14-8)12-10(13-9)6-3-4-6/h6H,1-5H2
InChIKeyNEADNFCXCPVSGZ-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (CID 14878803) is 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is Clc1nc(C2CC2)nc2c1SCCC2.
What is the InChIKey of 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The InChIKey is NEADNFCXCPVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-9-8-7(2-1-5-14-8)12-10(13-9)6-3-4-6/h6H,1-5H2.
What are the key properties of 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine has a molecular weight of 226.73 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is sourced from PubChem (CID 14878803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).