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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Related Compounds

CID 2971918
CID 2971918
CID 49872924
CID 49872924
CID 661382
CID 661382
CID 1158941
CID 1158941
CID 2226126
CID 2226126
CID 9549592
CID 9549592
CID 5328084
CID 5328084
CID 1563686
CID 1563686
CID 1816791
CID 1816791
CID 2989844
CID 2989844
CID 3233567
CID 3233567
CID 9835485
CID 9835485

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).