1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea

C16H21N5O3 — CID 71458577

IUPAC1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H21N5O3/c22-15-13(12-18-14-4-1-2-7-21(14)15)19-16(23)17-5-3-6-20-8-10-24-11-9-20/h1-2,4,7,12H,3,5-6,8-11H2,(H2,17,19,23)
InChIKeyHYLAUTZOPPKVRP-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.54
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea

1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 71458577) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID71458577
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H21N5O3/c22-15-13(12-18-14-4-1-2-7-21(14)15)19-16(23)17-5-3-6-20-8-10-24-11-9-20/h1-2,4,7,12H,3,5-6,8-11H2,(H2,17,19,23)
InChIKeyHYLAUTZOPPKVRP-UHFFFAOYSA-N
XLogP0.54
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 71458577) is 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is O=C(NCCCN1CCOCC1)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is HYLAUTZOPPKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-15-13(12-18-14-4-1-2-7-21(14)15)19-16(23)17-5-3-6-20-8-10-24-11-9-20/h1-2,4,7,12H,3,5-6,8-11H2,(H2,17,19,23).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 331.38 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 71458577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).