1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea

C13H16N4O3 — CID 71449592

IUPAC1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESCOCCNC(=O)Nc1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C13H16N4O3/c1-9-3-5-17-11(7-9)15-8-10(12(17)18)16-13(19)14-4-6-20-2/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,19)
InChIKeySPDVISNQWVJSOI-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.77
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea

1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 71449592) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID71449592
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESCOCCNC(=O)Nc1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C13H16N4O3/c1-9-3-5-17-11(7-9)15-8-10(12(17)18)16-13(19)14-4-6-20-2/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,19)
InChIKeySPDVISNQWVJSOI-UHFFFAOYSA-N
XLogP0.77
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 71449592) is 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is COCCNC(=O)Nc1cnc2cc(C)ccn2c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is SPDVISNQWVJSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-3-5-17-11(7-9)15-8-10(12(17)18)16-13(19)14-4-6-20-2/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,19).
What are the key properties of 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 276.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 71449592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).