1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

C13H22N4O3 — CID 138741772

IUPAC1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCOCCCCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O3/c1-3-20-8-6-4-5-7-14-13(19)17-12-15-10(2)9-11(18)16-12/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyDSFDBUPXLIGNLF-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.41
Rot. Bonds8

About 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 138741772) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID138741772
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCOCCCCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O3/c1-3-20-8-6-4-5-7-14-13(19)17-12-15-10(2)9-11(18)16-12/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyDSFDBUPXLIGNLF-UHFFFAOYSA-N
XLogP1.41
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (CID 138741772) is 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is CCOCCCCCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is DSFDBUPXLIGNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-20-8-6-4-5-7-14-13(19)17-12-15-10(2)9-11(18)16-12/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18,19).
What are the key properties of 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 282.34 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 138741772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).