7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

C11H11ClF3N3O2 — CID 143088368

IUPAC7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(n(CC(F)(F)F)c1=O)N=C(Cl)CC2
InChIInChI=1S/C11H11ClF3N3O2/c1-2-17-9(19)6-3-4-7(12)16-8(6)18(10(17)20)5-11(13,14)15/h2-5H2,1H3
InChIKeyANJJCZQWKINBLV-UHFFFAOYSA-N
MW309.68 g/mol
LogP1.81
Rot. Bonds2

About 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 143088368) has the molecular formula C11H11ClF3N3O2 and a molecular weight of 309.68 g/mol. Its IUPAC name is 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID143088368
Molecular FormulaC11H11ClF3N3O2
Molecular Weight309.68 g/mol
Exact Mass309.05
IUPAC Name7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(n(CC(F)(F)F)c1=O)N=C(Cl)CC2
InChIInChI=1S/C11H11ClF3N3O2/c1-2-17-9(19)6-3-4-7(12)16-8(6)18(10(17)20)5-11(13,14)15/h2-5H2,1H3
InChIKeyANJJCZQWKINBLV-UHFFFAOYSA-N
XLogP1.81
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione (CID 143088368) is 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2c(n(CC(F)(F)F)c1=O)N=C(Cl)CC2.
What is the InChIKey of 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ANJJCZQWKINBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O2/c1-2-17-9(19)6-3-4-7(12)16-8(6)18(10(17)20)5-11(13,14)15/h2-5H2,1H3.
What are the key properties of 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 309.68 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143088368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).