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

C10H12F3N3 — CID 24930406

IUPAC7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCN1CCc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H12F3N3/c1-2-16-4-3-7-5-14-9(10(11,12)13)15-8(7)6-16/h5H,2-4,6H2,1H3
InChIKeyBCAXOKWMURMPFN-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.87
Rot. Bonds1

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

7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930406) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930406
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCN1CCc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H12F3N3/c1-2-16-4-3-7-5-14-9(10(11,12)13)15-8(7)6-16/h5H,2-4,6H2,1H3
InChIKeyBCAXOKWMURMPFN-UHFFFAOYSA-N
XLogP1.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930406) is 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCN1CCc2cnc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is BCAXOKWMURMPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-2-16-4-3-7-5-14-9(10(11,12)13)15-8(7)6-16/h5H,2-4,6H2,1H3.
What are the key properties of 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 231.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).