(4,6-dibutylpyrimidin-2-yl)urea

C13H22N4O — CID 23036893

IUPAC(4,6-dibutylpyrimidin-2-yl)urea
SMILESCCCCc1cc(CCCC)nc(NC(N)=O)n1
InChIInChI=1S/C13H22N4O/c1-3-5-7-10-9-11(8-6-4-2)16-13(15-10)17-12(14)18/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyWCVQNNVUICFEFD-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.65
Rot. Bonds7

About (4,6-dibutylpyrimidin-2-yl)urea

(4,6-dibutylpyrimidin-2-yl)urea (PubChem CID 23036893) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4,6-dibutylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name(4,6-dibutylpyrimidin-2-yl)urea
PubChem CID23036893
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4,6-dibutylpyrimidin-2-yl)urea
SMILESCCCCc1cc(CCCC)nc(NC(N)=O)n1
InChIInChI=1S/C13H22N4O/c1-3-5-7-10-9-11(8-6-4-2)16-13(15-10)17-12(14)18/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyWCVQNNVUICFEFD-UHFFFAOYSA-N
XLogP2.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,6-dibutylpyrimidin-2-yl)urea?
The IUPAC name of (4,6-dibutylpyrimidin-2-yl)urea (CID 23036893) is (4,6-dibutylpyrimidin-2-yl)urea.
What is the SMILES notation for (4,6-dibutylpyrimidin-2-yl)urea?
The canonical SMILES for (4,6-dibutylpyrimidin-2-yl)urea is CCCCc1cc(CCCC)nc(NC(N)=O)n1.
What is the InChIKey of (4,6-dibutylpyrimidin-2-yl)urea?
The InChIKey is WCVQNNVUICFEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-5-7-10-9-11(8-6-4-2)16-13(15-10)17-12(14)18/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of (4,6-dibutylpyrimidin-2-yl)urea?
(4,6-dibutylpyrimidin-2-yl)urea has a molecular weight of 250.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dibutylpyrimidin-2-yl)urea is sourced from PubChem (CID 23036893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).