2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol

C16H14F3N5O — CID 15982441

IUPAC2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)c2ccc(-c3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)11-4-2-1-3-9(11)12-6-5-10-13(21-7-8-25)23-15(20)24-14(10)22-12/h1-6,25H,7-8H2,(H3,20,21,22,23,24)
InChIKeyWLJUCSLMZSTCSW-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.70
Rot. Bonds4

About 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol

2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 15982441) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID15982441
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)c2ccc(-c3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)11-4-2-1-3-9(11)12-6-5-10-13(21-7-8-25)23-15(20)24-14(10)22-12/h1-6,25H,7-8H2,(H3,20,21,22,23,24)
InChIKeyWLJUCSLMZSTCSW-UHFFFAOYSA-N
XLogP2.70
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol (CID 15982441) is 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol is Nc1nc(NCCO)c2ccc(-c3ccccc3C(F)(F)F)nc2n1.
What is the InChIKey of 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is WLJUCSLMZSTCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c17-16(18,19)11-4-2-1-3-9(11)12-6-5-10-13(21-7-8-25)23-15(20)24-14(10)22-12/h1-6,25H,7-8H2,(H3,20,21,22,23,24).
What are the key properties of 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 349.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 15982441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).