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

C7H6Cl2N2S — CID 13307214

IUPAC2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C7H6Cl2N2S/c8-6-5-4(2-1-3-12-5)10-7(9)11-6/h1-3H2
InChIKeyHIKOVOQFJFSCLL-UHFFFAOYSA-N
MW221.11 g/mol
LogP2.82
Rot. Bonds

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

2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (PubChem CID 13307214) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
PubChem CID13307214
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C7H6Cl2N2S/c8-6-5-4(2-1-3-12-5)10-7(9)11-6/h1-3H2
InChIKeyHIKOVOQFJFSCLL-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-6,7-dihydrothieno[3,2-d]pyrimidine
CID 45789967
4-chloro-6H,7H,8H-thiopyrano[3,2-d]pyrimidine
CID 13707809
2,4-Dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
CID 15895119
2,4-dichloro-6H,7H-5lambda6-thieno(3,2-d)pyrimidine-5,5-dione
CID 112756466
4-chloro-5-imino-6H,7H,8H-5lambda6-thiopyrano[3,2-d]pyrimidin-5-one
CID 138987716
4-chloro-2-(trifluoromethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CID 88632086
2-amino-4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CID 13307155
2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
CID 13307212
2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
CID 13307218
4-chloro-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CID 14878794
2-Cyclopropyl-4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CID 14878803
4-chloro-2-(trichloromethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CID 14878811

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (CID 13307214) is 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is Clc1nc(Cl)c2c(n1)CCCS2.
What is the InChIKey of 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The InChIKey is HIKOVOQFJFSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c8-6-5-4(2-1-3-12-5)10-7(9)11-6/h1-3H2.
What are the key properties of 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine has a molecular weight of 221.11 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is sourced from PubChem (CID 13307214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).