4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine

C15H14F3N5 — CID 154026710

IUPAC4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNC1=NC(N)(Cc2ccccc2C(F)(F)F)c2cccnc2N1
InChIInChI=1S/C15H14F3N5/c16-15(17,18)10-5-2-1-4-9(10)8-14(20)11-6-3-7-21-12(11)22-13(19)23-14/h1-7H,8,20H2,(H3,19,21,22,23)
InChIKeyXZDKBLULMOFRAE-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.19
Rot. Bonds2

About 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine

4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 154026710) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID154026710
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNC1=NC(N)(Cc2ccccc2C(F)(F)F)c2cccnc2N1
InChIInChI=1S/C15H14F3N5/c16-15(17,18)10-5-2-1-4-9(10)8-14(20)11-6-3-7-21-12(11)22-13(19)23-14/h1-7H,8,20H2,(H3,19,21,22,23)
InChIKeyXZDKBLULMOFRAE-UHFFFAOYSA-N
XLogP2.19
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine
CID 143492543
4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine
CID 154433299
2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 150949488
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103244
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-benzyl-3-(trifluoromethyl)pyridine
CID 58230279
3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
CID 106679214
3-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 69380525
1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 161169129
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 60875517

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine (CID 154026710) is 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine is NC1=NC(N)(Cc2ccccc2C(F)(F)F)c2cccnc2N1.
What is the InChIKey of 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XZDKBLULMOFRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5/c16-15(17,18)10-5-2-1-4-9(10)8-14(20)11-6-3-7-21-12(11)22-13(19)23-14/h1-7H,8,20H2,(H3,19,21,22,23).
What are the key properties of 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine?
4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 321.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 154026710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).