2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol

C20H25N5O2 — CID 66959916

IUPAC2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
SMILESCN1C=Nc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCO)c2C1
InChIInChI=1S/C20H25N5O2/c1-24-13-17-19(22-14-24)12-18(23-20(17)21-6-9-26)15-2-4-16(5-3-15)25-7-10-27-11-8-25/h2-5,12,14,26H,6-11,13H2,1H3,(H,21,23)
InChIKeyZLBDBHHDUFFELO-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.09
Rot. Bonds5

About 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol

2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol (PubChem CID 66959916) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
PubChem CID66959916
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
SMILESCN1C=Nc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCO)c2C1
InChIInChI=1S/C20H25N5O2/c1-24-13-17-19(22-14-24)12-18(23-20(17)21-6-9-26)15-2-4-16(5-3-15)25-7-10-27-11-8-25/h2-5,12,14,26H,6-11,13H2,1H3,(H,21,23)
InChIKeyZLBDBHHDUFFELO-UHFFFAOYSA-N
XLogP2.09
TPSA73.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol with MolForge

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Related Compounds

3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine
CID 66959625
3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
CID 66960077
3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine
CID 66959577
3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol
CID 71113456
5-[[(2R)-2,3-dihydroxypropyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959825
5-(1,3-dioxolan-2-ylmethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959637
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959821
N-cyclopropyl-3-methyl-7-(6-piperidin-1-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
CID 66959667
3-methyl-5-(methylamino)-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 123985024
5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870859
4-[4-(6-ethyl-5-methyl-2-pyridinyl)phenyl]morpholine
CID 121495176

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol (CID 66959916) is 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol is CN1C=Nc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCO)c2C1.
What is the InChIKey of 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol?
The InChIKey is ZLBDBHHDUFFELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24-13-17-19(22-14-24)12-18(23-20(17)21-6-9-26)15-2-4-16(5-3-15)25-7-10-27-11-8-25/h2-5,12,14,26H,6-11,13H2,1H3,(H,21,23).
What are the key properties of 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol?
2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol has a molecular weight of 367.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 66959916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).