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

C9H10F3N3 — CID 114738456

IUPAC2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)Cc1ncc2c(n1)CCNC2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)3-8-14-5-6-4-13-2-1-7(6)15-8/h5,13H,1-4H2
InChIKeyYZRFZQOEDBDLAE-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.23
Rot. Bonds1

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

2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738456) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738456
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)Cc1ncc2c(n1)CCNC2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)3-8-14-5-6-4-13-2-1-7(6)15-8/h5,13H,1-4H2
InChIKeyYZRFZQOEDBDLAE-UHFFFAOYSA-N
XLogP1.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride
CID 170900386
2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 129287120
4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine
CID 20825871
2-(propylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738461
2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 28903977
2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738325
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
CID 82022586
2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 28903971
2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 103151406
2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 54592647
2-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 59487099
2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738462

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738456) is 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is FC(F)(F)Cc1ncc2c(n1)CCNC2.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is YZRFZQOEDBDLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)3-8-14-5-6-4-13-2-1-7(6)15-8/h5,13H,1-4H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).