2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine

C12H7ClF2N2OS — CID 114268155

IUPAC2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESFc1ccc(F)c(Oc2nc(Cl)nc3c2SCC3)c1
InChIInChI=1S/C12H7ClF2N2OS/c13-12-16-8-3-4-19-10(8)11(17-12)18-9-5-6(14)1-2-7(9)15/h1-2,5H,3-4H2
InChIKeyYHVKDWTXHKDJMP-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.85
Rot. Bonds2

About 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine

2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine (PubChem CID 114268155) has the molecular formula C12H7ClF2N2OS and a molecular weight of 300.72 g/mol. Its IUPAC name is 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine
PubChem CID114268155
Molecular FormulaC12H7ClF2N2OS
Molecular Weight300.72 g/mol
Exact Mass299.99
IUPAC Name2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESFc1ccc(F)c(Oc2nc(Cl)nc3c2SCC3)c1
InChIInChI=1S/C12H7ClF2N2OS/c13-12-16-8-3-4-19-10(8)11(17-12)18-9-5-6(14)1-2-7(9)15/h1-2,5H,3-4H2
InChIKeyYHVKDWTXHKDJMP-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine (CID 114268155) is 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine is Fc1ccc(F)c(Oc2nc(Cl)nc3c2SCC3)c1.
What is the InChIKey of 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is YHVKDWTXHKDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2OS/c13-12-16-8-3-4-19-10(8)11(17-12)18-9-5-6(14)1-2-7(9)15/h1-2,5H,3-4H2.
What are the key properties of 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine?
2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 300.72 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 114268155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).