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

C11H12F3N3 — CID 69094907

IUPAC4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1nc2c(c(C3CC3)n1)CCNC2
InChIInChI=1S/C11H12F3N3/c12-11(13,14)10-16-8-5-15-4-3-7(8)9(17-10)6-1-2-6/h6,15H,1-5H2
InChIKeyBCSZSBJXQIRBIV-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.02
Rot. Bonds1

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

4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 69094907) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID69094907
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1nc2c(c(C3CC3)n1)CCNC2
InChIInChI=1S/C11H12F3N3/c12-11(13,14)10-16-8-5-15-4-3-7(8)9(17-10)6-1-2-6/h6,15H,1-5H2
InChIKeyBCSZSBJXQIRBIV-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 69094907) is 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is FC(F)(F)c1nc2c(c(C3CC3)n1)CCNC2.
What is the InChIKey of 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is BCSZSBJXQIRBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c12-11(13,14)10-16-8-5-15-4-3-7(8)9(17-10)6-1-2-6/h6,15H,1-5H2.
What are the key properties of 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 243.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 69094907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).