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

C12H14N4O3 — CID 71449588

IUPAC1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESCOCCNC(=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C12H14N4O3/c1-19-7-5-13-12(18)15-9-8-14-10-4-2-3-6-16(10)11(9)17/h2-4,6,8H,5,7H2,1H3,(H2,13,15,18)
InChIKeySGDNVVKYCQZRMA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.46
Rot. Bonds4

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

1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 71449588) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID71449588
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESCOCCNC(=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C12H14N4O3/c1-19-7-5-13-12(18)15-9-8-14-10-4-2-3-6-16(10)11(9)17/h2-4,6,8H,5,7H2,1H3,(H2,13,15,18)
InChIKeySGDNVVKYCQZRMA-UHFFFAOYSA-N
XLogP0.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.46
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-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 71449588) is 1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is COCCNC(=O)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is SGDNVVKYCQZRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-19-7-5-13-12(18)15-9-8-14-10-4-2-3-6-16(10)11(9)17/h2-4,6,8H,5,7H2,1H3,(H2,13,15,18).
What are the key properties of 1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-(2-methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 262.27 g/mol, XLogP of 0.46, 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-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 71449588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).