4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine

C8H6F3N3 — CID 141152494

IUPAC4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncnc2c1CC=NC2
InChIInChI=1S/C8H6F3N3/c9-8(10,11)7-5-1-2-12-3-6(5)13-4-14-7/h2,4H,1,3H2
InChIKeyKTWYAULLYADCSH-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.62
Rot. Bonds

About 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine

4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine (PubChem CID 141152494) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine
PubChem CID141152494
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncnc2c1CC=NC2
InChIInChI=1S/C8H6F3N3/c9-8(10,11)7-5-1-2-12-3-6(5)13-4-14-7/h2,4H,1,3H2
InChIKeyKTWYAULLYADCSH-UHFFFAOYSA-N
XLogP1.62
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6-Trimethylpyrimidine
CID 18736669
5-Ethyl-4,6-dimethylpyrimidine
CID 18735156
5,6-Dihydropyrido[3,4-d]pyrimidine
CID 54268594
7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930406
4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 53443582
4-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 58333901
4-Tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine
CID 66615490
4-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 66969187
4-chloro-5-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
CID 88589202
4-(Difluoromethyl)-6-methylpyrimidine-5-carbonitrile
CID 90136161
7-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 117633291
N,N-dimethyl-1-[4-methyl-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine
CID 117884206

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine (CID 141152494) is 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine is FC(F)(F)c1ncnc2c1CC=NC2.
What is the InChIKey of 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine?
The InChIKey is KTWYAULLYADCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)7-5-1-2-12-3-6(5)13-4-14-7/h2,4H,1,3H2.
What are the key properties of 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine?
4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine has a molecular weight of 201.15 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 141152494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).