3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C19H14FN3O2S — CID 139248760

IUPAC3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2sc(-c3ccncc3)c(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C19H14FN3O2S/c1-2-23-18(24)15-14(11-3-5-13(20)6-4-11)16(12-7-9-21-10-8-12)26-17(15)22-19(23)25/h3-10H,2H2,1H3,(H,22,25)
InChIKeyDOXAUJHQVKMDJF-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.64
Rot. Bonds3

About 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 139248760) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID139248760
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2sc(-c3ccncc3)c(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C19H14FN3O2S/c1-2-23-18(24)15-14(11-3-5-13(20)6-4-11)16(12-7-9-21-10-8-12)26-17(15)22-19(23)25/h3-10H,2H2,1H3,(H,22,25)
InChIKeyDOXAUJHQVKMDJF-UHFFFAOYSA-N
XLogP3.64
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
CID 2886111
1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
CID 53388958
1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
CID 53388959
1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
CID 53388960
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pyridine-4-carboxamide
CID 897174
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
2-(butanoylamino)-N-(pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3153379
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)nicotinamide
CID 722715
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)isonicotinamide
CID 764010
2-[(4-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127139
2-[(5-Fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127142

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 139248760) is 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c2sc(-c3ccncc3)c(-c3ccc(F)cc3)c2c1=O.
What is the InChIKey of 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DOXAUJHQVKMDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-2-23-18(24)15-14(11-3-5-13(20)6-4-11)16(12-7-9-21-10-8-12)26-17(15)22-19(23)25/h3-10H,2H2,1H3,(H,22,25).
What are the key properties of 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 139248760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).