6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C15H15F3N4 — CID 24929895

IUPAC6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(Cc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C15H15F3N4/c16-15(17,18)12-4-2-1-3-10(12)8-22-6-5-13-11(9-22)7-20-14(19)21-13/h1-4,7H,5-6,8-9H2,(H2,19,20,21)
InChIKeyPXGBWZITSFFTHP-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.64
Rot. Bonds2

About 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 24929895) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID24929895
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(Cc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C15H15F3N4/c16-15(17,18)12-4-2-1-3-10(12)8-22-6-5-13-11(9-22)7-20-14(19)21-13/h1-4,7H,5-6,8-9H2,(H2,19,20,21)
InChIKeyPXGBWZITSFFTHP-UHFFFAOYSA-N
XLogP2.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917249
2-(2,3,4,5-tetrahydropyridin-6-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929894
6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24911370
3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-chlorophenol
CID 24929118
6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913806
6-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929457
2-pyridin-3-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917293
6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913995
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913428
2-pyrimidin-5-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917298
6-[[5-(3,5-difluorophenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24916074

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 24929895) is 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Nc1ncc2c(n1)CCN(Cc1ccccc1C(F)(F)F)C2.
What is the InChIKey of 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is PXGBWZITSFFTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c16-15(17,18)12-4-2-1-3-10(12)8-22-6-5-13-11(9-22)7-20-14(19)21-13/h1-4,7H,5-6,8-9H2,(H2,19,20,21).
What are the key properties of 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 308.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 24929895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).