2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline

C16H13F3N4 — CID 137425102

IUPAC2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline
SMILESCc1cc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)ccc1N
InChIInChI=1S/C16H13F3N4/c1-8-5-10(3-4-11(8)20)15-21-7-12-14(23-15)9(2)6-13(22-12)16(17,18)19/h3-7H,20H2,1-2H3
InChIKeyYYKFLSOSVIFDIT-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.91
Rot. Bonds1

About 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline

2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline (PubChem CID 137425102) has the molecular formula C16H13F3N4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline.

Molecular Properties

Compound Name2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline
PubChem CID137425102
Molecular FormulaC16H13F3N4
Molecular Weight318.30 g/mol
Exact Mass318.11
IUPAC Name2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline
SMILESCc1cc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)ccc1N
InChIInChI=1S/C16H13F3N4/c1-8-5-10(3-4-11(8)20)15-21-7-12-14(23-15)9(2)6-13(22-12)16(17,18)19/h3-7H,20H2,1-2H3
InChIKeyYYKFLSOSVIFDIT-UHFFFAOYSA-N
XLogP3.91
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]aniline
CID 137425224
N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137434668
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
2-methyl-4-(1,3,5-triazin-2-yl)aniline
CID 82468520
4-[1-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-2-methylaniline
CID 155581622
5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947250
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
5-methyl-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyrimidine
CID 157058783
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130154054
N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137425480
6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55045264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline?
The IUPAC name of 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline (CID 137425102) is 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline.
What is the SMILES notation for 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline?
The canonical SMILES for 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline is Cc1cc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)ccc1N.
What is the InChIKey of 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline?
The InChIKey is YYKFLSOSVIFDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4/c1-8-5-10(3-4-11(8)20)15-21-7-12-14(23-15)9(2)6-13(22-12)16(17,18)19/h3-7H,20H2,1-2H3.
What are the key properties of 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline?
2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline has a molecular weight of 318.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline is sourced from PubChem (CID 137425102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).