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

C10H16N4O2 — CID 135587710

IUPAC1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-3-4-5-11-10(16)14-9-12-7(2)6-8(15)13-9/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyFEERTKQZMHJACG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.00
Rot. Bonds4

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

1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 135587710) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID135587710
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-3-4-5-11-10(16)14-9-12-7(2)6-8(15)13-9/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyFEERTKQZMHJACG-UHFFFAOYSA-N
XLogP1.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (CID 135587710) is 1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is CCCCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is FEERTKQZMHJACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-4-5-11-10(16)14-9-12-7(2)6-8(15)13-9/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16).
What are the key properties of 1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 224.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 135587710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).