2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine

C7H6Cl2N2S — CID 15895119

IUPAC2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)CCSC2
InChIInChI=1S/C7H6Cl2N2S/c8-6-4-3-12-2-1-5(4)10-7(9)11-6/h1-3H2
InChIKeyIHJDGIDSEZWIQT-UHFFFAOYSA-N
MW221.11 g/mol
LogP2.57
Rot. Bonds

About 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine

2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine (PubChem CID 15895119) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
PubChem CID15895119
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)CCSC2
InChIInChI=1S/C7H6Cl2N2S/c8-6-4-3-12-2-1-5(4)10-7(9)11-6/h1-3H2
InChIKeyIHJDGIDSEZWIQT-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 2726820
2,4-Dichloro-5,6,7,8-tetrahydroquinazoline
CID 12602864
4-chloro-6H,7H,8H-thiopyrano[3,2-d]pyrimidine
CID 13707809
2,4-Dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 89487319
2,4-Dichloro-7-methyl-5,7-dihydrothieno[3,4-D]pyrimidine
CID 89487335
2-Chloro-5,7,8-trihydro-4-(trifluoromethyl)thiopyrano-[4,3-d]-pyrimidine
CID 91926187
4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
CID 4264640
2-amino-4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CID 13307155
2,4-Dichloro-7,8-dihydro-6H-thiopyrano[3,2-D]pyrimidine
CID 13307214
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-5H-thiopyrano[4,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine (CID 15895119) is 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine is Clc1nc(Cl)c2c(n1)CCSC2.
What is the InChIKey of 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
The InChIKey is IHJDGIDSEZWIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c8-6-4-3-12-2-1-5(4)10-7(9)11-6/h1-3H2.
What are the key properties of 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine has a molecular weight of 221.11 g/mol, XLogP of 2.57, 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-5H-thiopyrano[4,3-d]pyrimidine is sourced from PubChem (CID 15895119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).