N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine

C20H13F3N4O — CID 163201890

IUPACN-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4ncccc34)cc2)cc1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)27-19-17-2-1-11-24-18(17)25-12-26-19/h1-12H,(H,24,25,26,27)
InChIKeySJVNZRJOEFPCFY-UHFFFAOYSA-N
MW382.35 g/mol
LogP5.58
Rot. Bonds4

About N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine

N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 163201890) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID163201890
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC NameN-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4ncccc34)cc2)cc1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)27-19-17-2-1-11-24-18(17)25-12-26-19/h1-12H,(H,24,25,26,27)
InChIKeySJVNZRJOEFPCFY-UHFFFAOYSA-N
XLogP5.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 163201890) is N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine is FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4ncccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SJVNZRJOEFPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)27-19-17-2-1-11-24-18(17)25-12-26-19/h1-12H,(H,24,25,26,27).
What are the key properties of N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine?
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 382.35 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163201890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).