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

C15H14F3N3 — CID 114737929

IUPAC2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccccc1-c1nc2c(c(C(F)(F)F)n1)CNCC2
InChIInChI=1S/C15H14F3N3/c1-9-4-2-3-5-10(9)14-20-12-6-7-19-8-11(12)13(21-14)15(16,17)18/h2-5,19H,6-8H2,1H3
InChIKeyGWXIIRCODCCBMX-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.12
Rot. Bonds1

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

2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737929) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737929
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccccc1-c1nc2c(c(C(F)(F)F)n1)CNCC2
InChIInChI=1S/C15H14F3N3/c1-9-4-2-3-5-10(9)14-20-12-6-7-19-8-11(12)13(21-14)15(16,17)18/h2-5,19H,6-8H2,1H3
InChIKeyGWXIIRCODCCBMX-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737900
2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737962
2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 57374629
2-(4-fluorophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737950
2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737994
2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737933
2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739924
2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739932
2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737971
2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207088
2-methyl-4-[[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methyl]-1,3-thiazole
CID 114738010
N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine
CID 114737943

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737929) is 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1ccccc1-c1nc2c(c(C(F)(F)F)n1)CNCC2.
What is the InChIKey of 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is GWXIIRCODCCBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c1-9-4-2-3-5-10(9)14-20-12-6-7-19-8-11(12)13(21-14)15(16,17)18/h2-5,19H,6-8H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 293.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).