4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol

C12H10FN3OS — CID 136813848

IUPAC4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol
SMILESNc1nc(-c2ccc(O)c(F)c2)nc2c1CSC2
InChIInChI=1S/C12H10FN3OS/c13-8-3-6(1-2-10(8)17)12-15-9-5-18-4-7(9)11(14)16-12/h1-3,17H,4-5H2,(H2,14,15,16)
InChIKeyFKNISANKRVFBLX-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.32
Rot. Bonds1

About 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol

4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol (PubChem CID 136813848) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol
PubChem CID136813848
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol
SMILESNc1nc(-c2ccc(O)c(F)c2)nc2c1CSC2
InChIInChI=1S/C12H10FN3OS/c13-8-3-6(1-2-10(8)17)12-15-9-5-18-4-7(9)11(14)16-12/h1-3,17H,4-5H2,(H2,14,15,16)
InChIKeyFKNISANKRVFBLX-UHFFFAOYSA-N
XLogP2.32
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201580
2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191278
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
CID 136927531
2-(4-methylsulfanylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201426
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193663
2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189983
2-quinolin-6-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192964
2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193657
2-(5-fluoro-2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190763
2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107539786
[2-(3-fluoro-4-methoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201198
2-[5-fluoro-2-(trifluoromethyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192977

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol?
The IUPAC name of 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol (CID 136813848) is 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol.
What is the SMILES notation for 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol?
The canonical SMILES for 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol is Nc1nc(-c2ccc(O)c(F)c2)nc2c1CSC2.
What is the InChIKey of 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol?
The InChIKey is FKNISANKRVFBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c13-8-3-6(1-2-10(8)17)12-15-9-5-18-4-7(9)11(14)16-12/h1-3,17H,4-5H2,(H2,14,15,16).
What are the key properties of 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol?
4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol has a molecular weight of 263.30 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol is sourced from PubChem (CID 136813848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).