8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine

C14H10F3N3 — CID 25234969

IUPAC8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccc(C2=NCCc3cncnc32)cc1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-9(2-4-11)12-13-10(5-6-19-12)7-18-8-20-13/h1-4,7-8H,5-6H2
InChIKeyUMTONLDHOQDTAM-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.89
Rot. Bonds1

About 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine

8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine (PubChem CID 25234969) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine
PubChem CID25234969
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccc(C2=NCCc3cncnc32)cc1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-9(2-4-11)12-13-10(5-6-19-12)7-18-8-20-13/h1-4,7-8H,5-6H2
InChIKeyUMTONLDHOQDTAM-UHFFFAOYSA-N
XLogP2.89
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine
CID 57326106
2-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 154214481
4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 155969730
5,6-dihydropyrido[3,2-h]quinazoline
CID 15783775
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183263
6-[4-(trifluoromethyl)phenyl]-7H-purine
CID 154460741
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 121160620
2-[3-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
CID 175345267
4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline
CID 57459920
5-(trifluoromethyl)pyrimidine
CID 15273573

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine?
The IUPAC name of 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine (CID 25234969) is 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine is FC(F)(F)c1ccc(C2=NCCc3cncnc32)cc1.
What is the InChIKey of 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine?
The InChIKey is UMTONLDHOQDTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-9(2-4-11)12-13-10(5-6-19-12)7-18-8-20-13/h1-4,7-8H,5-6H2.
What are the key properties of 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine?
8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine has a molecular weight of 277.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 25234969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).