3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

C19H21N5O3 — CID 123739007

IUPAC3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCC(NO)c1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C19H21N5O3/c1-12(23-26)14-10-16-17(20-11-14)19(24-5-7-27-8-6-24)22-18(21-16)13-3-2-4-15(25)9-13/h2-4,9-12,23,25-26H,5-8H2,1H3
InChIKeyHJRFUZMXPWPEBP-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.27
Rot. Bonds4

About 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 123739007) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID123739007
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCC(NO)c1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C19H21N5O3/c1-12(23-26)14-10-16-17(20-11-14)19(24-5-7-27-8-6-24)22-18(21-16)13-3-2-4-15(25)9-13/h2-4,9-12,23,25-26H,5-8H2,1H3
InChIKeyHJRFUZMXPWPEBP-UHFFFAOYSA-N
XLogP2.27
TPSA103.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
N-hydroxy-2-[[2-(3-hydroxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 122648346
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
1-[3-(Hydroxymethyl)phenyl]-3-[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 76317469
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
2-Amino-4-(morpholin-4-yl)-6-(3,4-dimethoxyphenyl)pteridine
CID 11176099
3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888752
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
3-[7-(2-Methyl-pyridin-4-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889090
3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070554
3-(6-morpholino-9-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073081

Frequently Asked Questions

What is the IUPAC name of 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (CID 123739007) is 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is CC(NO)c1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2c1.
What is the InChIKey of 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is HJRFUZMXPWPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(23-26)14-10-16-17(20-11-14)19(24-5-7-27-8-6-24)22-18(21-16)13-3-2-4-15(25)9-13/h2-4,9-12,23,25-26H,5-8H2,1H3.
What are the key properties of 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 367.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[1-(hydroxyamino)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 123739007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).