1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione

C19H14FN3O2S — CID 16841979

IUPAC1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1cccs1
InChIInChI=1S/C19H14FN3O2S/c20-14-5-1-4-13(10-14)11-22-16-7-2-8-21-17(16)18(24)23(19(22)25)12-15-6-3-9-26-15/h1-10H,11-12H2
InChIKeyXYVCLLFFTBCKDT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.86
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione

1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 16841979) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID16841979
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1cccs1
InChIInChI=1S/C19H14FN3O2S/c20-14-5-1-4-13(10-14)11-22-16-7-2-8-21-17(16)18(24)23(19(22)25)12-15-6-3-9-26-15/h1-10H,11-12H2
InChIKeyXYVCLLFFTBCKDT-UHFFFAOYSA-N
XLogP2.86
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione (CID 16841979) is 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione is O=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1cccs1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is XYVCLLFFTBCKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-14-5-1-4-13(10-14)11-22-16-7-2-8-21-17(16)18(24)23(19(22)25)12-15-6-3-9-26-15/h1-10H,11-12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16841979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).