6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C9H10F3N3 — CID 24909206

IUPAC6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C9H10F3N3/c1-15-3-2-7-6(5-15)4-13-8(14-7)9(10,11)12/h4H,2-3,5H2,1H3
InChIKeyCARMNQCFDWQHCK-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.48
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909206) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909206
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C9H10F3N3/c1-15-3-2-7-6(5-15)4-13-8(14-7)9(10,11)12/h4H,2-3,5H2,1H3
InChIKeyCARMNQCFDWQHCK-UHFFFAOYSA-N
XLogP1.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909206) is 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCc2nc(C(F)(F)F)ncc2C1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CARMNQCFDWQHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-15-3-2-7-6(5-15)4-13-8(14-7)9(10,11)12/h4H,2-3,5H2,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).