2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C14H14FN3OS — CID 136780325

IUPAC2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCCc2ccc(F)cc2)nc2c1CSC2
InChIInChI=1S/C14H14FN3OS/c15-10-3-1-9(2-4-10)5-6-16-14-17-12-8-20-7-11(12)13(19)18-14/h1-4H,5-8H2,(H2,16,17,18,19)
InChIKeyQDRYGCDVJUCFHC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.31
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 136780325) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID136780325
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCCc2ccc(F)cc2)nc2c1CSC2
InChIInChI=1S/C14H14FN3OS/c15-10-3-1-9(2-4-10)5-6-16-14-17-12-8-20-7-11(12)13(19)18-14/h1-4H,5-8H2,(H2,16,17,18,19)
InChIKeyQDRYGCDVJUCFHC-UHFFFAOYSA-N
XLogP2.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluoroanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779279
N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110432458
2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779495
2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433523
3-[2-(4-fluorophenyl)ethylamino]-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780331
6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 82563510
2-[[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136799271
2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile
CID 82563411
2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741463
2-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611942
4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one
CID 118741279
N-benzyl-2-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)sulfanyl]propanamide
CID 136683908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 136780325) is 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is O=c1[nH]c(NCCc2ccc(F)cc2)nc2c1CSC2.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is QDRYGCDVJUCFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-10-3-1-9(2-4-10)5-6-16-14-17-12-8-20-7-11(12)13(19)18-14/h1-4H,5-8H2,(H2,16,17,18,19).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 291.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136780325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).