6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C8H5F3N4O — CID 137286712

IUPAC6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1cnc2nc(C(F)(F)F)[nH]c(=O)c2c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7-14-5-4(6(16)15-7)1-3(12)2-13-5/h1-2H,12H2,(H,13,14,15,16)
InChIKeyWLESHUTZCFIPQZ-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.92
Rot. Bonds

About 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137286712) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137286712
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1cnc2nc(C(F)(F)F)[nH]c(=O)c2c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7-14-5-4(6(16)15-7)1-3(12)2-13-5/h1-2H,12H2,(H,13,14,15,16)
InChIKeyWLESHUTZCFIPQZ-UHFFFAOYSA-N
XLogP0.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137176452
azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135624385
7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 136757886
4,5-diamino-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135741941
6-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 79015215
6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154222644
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363
7-bromo-6-chloro-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 137178984
8-(trifluoromethyl)-7H-purin-6-amine
CID 3635406
4-methyl-12-(trifluoromethyl)-5-thia-7,11,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,12-tetraene-8,10-dione
CID 135402525
6-methyl-2-(trifluoromethyl)-3H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 177168172
2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136679439

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137286712) is 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is Nc1cnc2nc(C(F)(F)F)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WLESHUTZCFIPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)7-14-5-4(6(16)15-7)1-3(12)2-13-5/h1-2H,12H2,(H,13,14,15,16).
What are the key properties of 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 230.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137286712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).