N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

C25H23F3N6O2 — CID 23537181

IUPACN-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccnc1-c1cnc2c(Nc3cccc(OCCN4CCOCC4)c3)ncnc2c1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)20-5-2-6-29-22(20)17-13-21-23(30-15-17)24(32-16-31-21)33-18-3-1-4-19(14-18)36-12-9-34-7-10-35-11-8-34/h1-6,13-16H,7-12H2,(H,31,32,33)
InChIKeyLFVRKRBZZCKDPS-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.56
Rot. Bonds7

About N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 23537181) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID23537181
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC NameN-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccnc1-c1cnc2c(Nc3cccc(OCCN4CCOCC4)c3)ncnc2c1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)20-5-2-6-29-22(20)17-13-21-23(30-15-17)24(32-16-31-21)33-18-3-1-4-19(14-18)36-12-9-34-7-10-35-11-8-34/h1-6,13-16H,7-12H2,(H,31,32,33)
InChIKeyLFVRKRBZZCKDPS-UHFFFAOYSA-N
XLogP4.56
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (CID 23537181) is N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is FC(F)(F)c1cccnc1-c1cnc2c(Nc3cccc(OCCN4CCOCC4)c3)ncnc2c1.
What is the InChIKey of N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is LFVRKRBZZCKDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c26-25(27,28)20-5-2-6-29-22(20)17-13-21-23(30-15-17)24(32-16-31-21)33-18-3-1-4-19(14-18)36-12-9-34-7-10-35-11-8-34/h1-6,13-16H,7-12H2,(H,31,32,33).
What are the key properties of N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 496.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 23537181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).