2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol

C17H15F3N4O — CID 72885248

IUPAC2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCc1nc(NCC(O)c2ccccc2C(F)(F)F)c2cccnc2n1
InChIInChI=1S/C17H15F3N4O/c1-10-23-15-12(6-4-8-21-15)16(24-10)22-9-14(25)11-5-2-3-7-13(11)17(18,19)20/h2-8,14,25H,9H2,1H3,(H,21,22,23,24)
InChIKeyXFHDTUQHNQKYCQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.50
Rot. Bonds4

About 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol

2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 72885248) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID72885248
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCc1nc(NCC(O)c2ccccc2C(F)(F)F)c2cccnc2n1
InChIInChI=1S/C17H15F3N4O/c1-10-23-15-12(6-4-8-21-15)16(24-10)22-9-14(25)11-5-2-3-7-13(11)17(18,19)20/h2-8,14,25H,9H2,1H3,(H,21,22,23,24)
InChIKeyXFHDTUQHNQKYCQ-UHFFFAOYSA-N
XLogP3.50
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol (CID 72885248) is 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol is Cc1nc(NCC(O)c2ccccc2C(F)(F)F)c2cccnc2n1.
What is the InChIKey of 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is XFHDTUQHNQKYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-10-23-15-12(6-4-8-21-15)16(24-10)22-9-14(25)11-5-2-3-7-13(11)17(18,19)20/h2-8,14,25H,9H2,1H3,(H,21,22,23,24).
What are the key properties of 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol?
2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 348.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 72885248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).