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

C8H8F3N3 — CID 58333901

IUPAC4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncnc2c1CCNC2
InChIInChI=1S/C8H8F3N3/c9-8(10,11)7-5-1-2-12-3-6(5)13-4-14-7/h4,12H,1-3H2
InChIKeyFMHRQOZMPIETBA-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.14
Rot. Bonds

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

4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 58333901) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID58333901
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncnc2c1CCNC2
InChIInChI=1S/C8H8F3N3/c9-8(10,11)7-5-1-2-12-3-6(5)13-4-14-7/h4,12H,1-3H2
InChIKeyFMHRQOZMPIETBA-UHFFFAOYSA-N
XLogP1.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 58333901) is 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is FC(F)(F)c1ncnc2c1CCNC2.
What is the InChIKey of 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is FMHRQOZMPIETBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c9-8(10,11)7-5-1-2-12-3-6(5)13-4-14-7/h4,12H,1-3H2.
What are the key properties of 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 203.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 58333901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).