1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C13H14F3N3O3 — CID 4804047

IUPAC1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(CCOC)nc21
InChIInChI=1S/C13H14F3N3O3/c1-3-19-10-9(11(20)18-12(19)21)8(13(14,15)16)6-7(17-10)4-5-22-2/h6H,3-5H2,1-2H3,(H,18,20,21)
InChIKeyWHEAWALPUCKLPE-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.31
Rot. Bonds4

About 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 4804047) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID4804047
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(CCOC)nc21
InChIInChI=1S/C13H14F3N3O3/c1-3-19-10-9(11(20)18-12(19)21)8(13(14,15)16)6-7(17-10)4-5-22-2/h6H,3-5H2,1-2H3,(H,18,20,21)
InChIKeyWHEAWALPUCKLPE-UHFFFAOYSA-N
XLogP1.31
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 4804047) is 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(CCOC)nc21.
What is the InChIKey of 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WHEAWALPUCKLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-3-19-10-9(11(20)18-12(19)21)8(13(14,15)16)6-7(17-10)4-5-22-2/h6H,3-5H2,1-2H3,(H,18,20,21).
What are the key properties of 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 317.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(2-methoxyethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4804047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).