[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol

C20H22N4O4 — CID 118237163

IUPAC[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CO)cc3n2)c1
InChIInChI=1S/C20H22N4O4/c1-26-13-28-16-4-2-3-15(10-16)19-22-17-9-14(12-25)11-21-18(17)20(23-19)24-5-7-27-8-6-24/h2-4,9-11,25H,5-8,12-13H2,1H3
InChIKeyDSFHHQZGKGWISI-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.00
Rot. Bonds6

About [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol

[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol (PubChem CID 118237163) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol.

Molecular Properties

Compound Name[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
PubChem CID118237163
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CO)cc3n2)c1
InChIInChI=1S/C20H22N4O4/c1-26-13-28-16-4-2-3-15(10-16)19-22-17-9-14(12-25)11-21-18(17)20(23-19)24-5-7-27-8-6-24/h2-4,9-11,25H,5-8,12-13H2,1H3
InChIKeyDSFHHQZGKGWISI-UHFFFAOYSA-N
XLogP2.00
TPSA89.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The IUPAC name of [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol (CID 118237163) is [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol.
What is the SMILES notation for [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The canonical SMILES for [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CO)cc3n2)c1.
What is the InChIKey of [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The InChIKey is DSFHHQZGKGWISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-13-28-16-4-2-3-15(10-16)19-22-17-9-14(12-25)11-21-18(17)20(23-19)24-5-7-27-8-6-24/h2-4,9-11,25H,5-8,12-13H2,1H3.
What are the key properties of [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol has a molecular weight of 382.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol is sourced from PubChem (CID 118237163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).