2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

C9H7F3N4O — CID 118296010

IUPAC2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCC(F)(F)F)nc2[nH]1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)4-14-8-13-3-5-1-2-6(17)15-7(5)16-8/h1-3H,4H2,(H2,13,14,15,16,17)
InChIKeyFLDAJUVFRSZJAV-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.29
Rot. Bonds2

About 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118296010) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID118296010
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCC(F)(F)F)nc2[nH]1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)4-14-8-13-3-5-1-2-6(17)15-7(5)16-8/h1-3H,4H2,(H2,13,14,15,16,17)
InChIKeyFLDAJUVFRSZJAV-UHFFFAOYSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 118296010) is 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NCC(F)(F)F)nc2[nH]1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FLDAJUVFRSZJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)4-14-8-13-3-5-1-2-6(17)15-7(5)16-8/h1-3H,4H2,(H2,13,14,15,16,17).
What are the key properties of 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 244.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118296010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).