2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine

C8H6ClF3N2S — CID 91926187

IUPAC2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
SMILESFC(F)(F)c1nc(Cl)nc2c1CSCC2
InChIInChI=1S/C8H6ClF3N2S/c9-7-13-5-1-2-15-3-4(5)6(14-7)8(10,11)12/h1-3H2
InChIKeySLMCISGEDQGEFF-UHFFFAOYSA-N
MW254.66 g/mol
LogP2.94
Rot. Bonds

About 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine

2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine (PubChem CID 91926187) has the molecular formula C8H6ClF3N2S and a molecular weight of 254.66 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
PubChem CID91926187
Molecular FormulaC8H6ClF3N2S
Molecular Weight254.66 g/mol
Exact Mass253.99
IUPAC Name2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
SMILESFC(F)(F)c1nc(Cl)nc2c1CSCC2
InChIInChI=1S/C8H6ClF3N2S/c9-7-13-5-1-2-15-3-4(5)6(14-7)8(10,11)12/h1-3H2
InChIKeySLMCISGEDQGEFF-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine (CID 91926187) is 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine is FC(F)(F)c1nc(Cl)nc2c1CSCC2.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
The InChIKey is SLMCISGEDQGEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2S/c9-7-13-5-1-2-15-3-4(5)6(14-7)8(10,11)12/h1-3H2.
What are the key properties of 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine has a molecular weight of 254.66 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine is sourced from PubChem (CID 91926187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).