3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

C19H20N4O3 — CID 123629573

IUPAC3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOCCc1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C19H20N4O3/c24-7-4-13-10-16-17(20-12-13)19(23-5-8-26-9-6-23)22-18(21-16)14-2-1-3-15(25)11-14/h1-3,10-12,24-25H,4-9H2
InChIKeyYHZWUVFFJDWZQH-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.77
Rot. Bonds4

About 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 123629573) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID123629573
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOCCc1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C19H20N4O3/c24-7-4-13-10-16-17(20-12-13)19(23-5-8-26-9-6-23)22-18(21-16)14-2-1-3-15(25)11-14/h1-3,10-12,24-25H,4-9H2
InChIKeyYHZWUVFFJDWZQH-UHFFFAOYSA-N
XLogP1.77
TPSA91.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (CID 123629573) is 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is OCCc1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1.
What is the InChIKey of 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is YHZWUVFFJDWZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-7-4-13-10-16-17(20-12-13)19(23-5-8-26-9-6-23)22-18(21-16)14-2-1-3-15(25)11-14/h1-3,10-12,24-25H,4-9H2.
What are the key properties of 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 352.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-hydroxyethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 123629573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).