3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one

C19H14FN3OS2 — CID 2416008

IUPAC3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESNn1c(SCc2ccc(F)cc2)nc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C19H14FN3OS2/c20-14-8-6-12(7-9-14)10-26-19-22-17-16(18(24)23(19)21)15(11-25-17)13-4-2-1-3-5-13/h1-9,11H,10,21H2
InChIKeyYPJHAPYHOBDHEX-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.27
Rot. Bonds4

About 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one

3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 2416008) has the molecular formula C19H14FN3OS2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID2416008
Molecular FormulaC19H14FN3OS2
Molecular Weight383.47 g/mol
Exact Mass383.06
IUPAC Name3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESNn1c(SCc2ccc(F)cc2)nc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C19H14FN3OS2/c20-14-8-6-12(7-9-14)10-26-19-22-17-16(18(24)23(19)21)15(11-25-17)13-4-2-1-3-5-13/h1-9,11H,10,21H2
InChIKeyYPJHAPYHOBDHEX-UHFFFAOYSA-N
XLogP4.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2551427
3-amino-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 18206568
3-amino-2-(2-methylpropylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7569857
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 4026422
3-methyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 18272910
3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7165118
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 3332160
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 4664660
ethyl N-[2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]carbamate
CID 3876669
2-[3-(4-fluorophenyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 91065348
2-[(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 2552677
2-[(4-tert-butylphenyl)methylsulfanyl]-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 40914169

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one (CID 2416008) is 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one is Nn1c(SCc2ccc(F)cc2)nc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is YPJHAPYHOBDHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS2/c20-14-8-6-12(7-9-14)10-26-19-22-17-16(18(24)23(19)21)15(11-25-17)13-4-2-1-3-5-13/h1-9,11H,10,21H2.
What are the key properties of 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one?
3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 383.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2416008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).