1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol

C21H24N4O5 — CID 118237194

IUPAC1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(C(O)CO)cc3n2)c1
InChIInChI=1S/C21H24N4O5/c1-28-13-30-16-4-2-3-14(9-16)20-23-17-10-15(18(27)12-26)11-22-19(17)21(24-20)25-5-7-29-8-6-25/h2-4,9-11,18,26-27H,5-8,12-13H2,1H3
InChIKeyPSYFIZDAOLSCOD-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.54
Rot. Bonds7

About 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol

1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol (PubChem CID 118237194) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol
PubChem CID118237194
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(C(O)CO)cc3n2)c1
InChIInChI=1S/C21H24N4O5/c1-28-13-30-16-4-2-3-14(9-16)20-23-17-10-15(18(27)12-26)11-22-19(17)21(24-20)25-5-7-29-8-6-25/h2-4,9-11,18,26-27H,5-8,12-13H2,1H3
InChIKeyPSYFIZDAOLSCOD-UHFFFAOYSA-N
XLogP1.54
TPSA110.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol (CID 118237194) is 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(C(O)CO)cc3n2)c1.
What is the InChIKey of 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol?
The InChIKey is PSYFIZDAOLSCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-28-13-30-16-4-2-3-14(9-16)20-23-17-10-15(18(27)12-26)11-22-19(17)21(24-20)25-5-7-29-8-6-25/h2-4,9-11,18,26-27H,5-8,12-13H2,1H3.
What are the key properties of 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol?
1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol has a molecular weight of 412.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethane-1,2-diol is sourced from PubChem (CID 118237194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).