3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C11H12F3N3O — CID 83671003

IUPAC3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(nc(C(F)(F)F)n1C1CC1)CCNC2
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)10-16-8-3-4-15-5-7(8)9(18)17(10)6-1-2-6/h6,15H,1-5H2
InChIKeyLBHSMPCAMMDVIC-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.24
Rot. Bonds1

About 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 83671003) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID83671003
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(nc(C(F)(F)F)n1C1CC1)CCNC2
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)10-16-8-3-4-15-5-7(8)9(18)17(10)6-1-2-6/h6,15H,1-5H2
InChIKeyLBHSMPCAMMDVIC-UHFFFAOYSA-N
XLogP1.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 83671003) is 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1c2c(nc(C(F)(F)F)n1C1CC1)CCNC2.
What is the InChIKey of 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LBHSMPCAMMDVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)10-16-8-3-4-15-5-7(8)9(18)17(10)6-1-2-6/h6,15H,1-5H2.
What are the key properties of 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 259.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 83671003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).