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

C11H14F3N3 — CID 123230977

IUPAC7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)N1CCc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H14F3N3/c1-7(2)17-4-3-8-5-15-10(11(12,13)14)16-9(8)6-17/h5,7H,3-4,6H2,1-2H3
InChIKeyLIMYXOGQBNWAND-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.26
Rot. Bonds1

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

7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 123230977) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID123230977
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)N1CCc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H14F3N3/c1-7(2)17-4-3-8-5-15-10(11(12,13)14)16-9(8)6-17/h5,7H,3-4,6H2,1-2H3
InChIKeyLIMYXOGQBNWAND-UHFFFAOYSA-N
XLogP2.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 123230977) is 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)N1CCc2cnc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is LIMYXOGQBNWAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-7(2)17-4-3-8-5-15-10(11(12,13)14)16-9(8)6-17/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 123230977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).