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

C8H9ClN2S — CID 14878794

IUPAC4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C8H9ClN2S/c1-5-10-6-3-2-4-12-7(6)8(9)11-5/h2-4H2,1H3
InChIKeyGYSBXUCVPSEZKE-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.48
Rot. Bonds

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

4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (PubChem CID 14878794) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
PubChem CID14878794
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C8H9ClN2S/c1-5-10-6-3-2-4-12-7(6)8(9)11-5/h2-4H2,1H3
InChIKeyGYSBXUCVPSEZKE-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (CID 14878794) is 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is Cc1nc(Cl)c2c(n1)CCCS2.
What is the InChIKey of 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The InChIKey is GYSBXUCVPSEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c1-5-10-6-3-2-4-12-7(6)8(9)11-5/h2-4H2,1H3.
What are the key properties of 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine has a molecular weight of 200.69 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is sourced from PubChem (CID 14878794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).