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

C9H14N4O2 — CID 54206399

IUPAC1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCCCN(C(N)=O)c1nccc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-2-3-6-13(8(10)15)9-11-5-4-7(14)12-9/h4-5H,2-3,6H2,1H3,(H2,10,15)(H,11,12,14)
InChIKeyPSTYSUXWSJWBCW-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.46
Rot. Bonds4

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

1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 54206399) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID54206399
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCCCN(C(N)=O)c1nccc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-2-3-6-13(8(10)15)9-11-5-4-7(14)12-9/h4-5H,2-3,6H2,1H3,(H2,10,15)(H,11,12,14)
InChIKeyPSTYSUXWSJWBCW-UHFFFAOYSA-N
XLogP0.46
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea (CID 54206399) is 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea is CCCCN(C(N)=O)c1nccc(=O)[nH]1.
What is the InChIKey of 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is PSTYSUXWSJWBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-6-13(8(10)15)9-11-5-4-7(14)12-9/h4-5H,2-3,6H2,1H3,(H2,10,15)(H,11,12,14).
What are the key properties of 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea?
1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 210.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 54206399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).