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

C11H18N4O — CID 23036910

IUPAC(4,6-dipropylpyrimidin-2-yl)urea
SMILESCCCc1cc(CCC)nc(NC(N)=O)n1
InChIInChI=1S/C11H18N4O/c1-3-5-8-7-9(6-4-2)14-11(13-8)15-10(12)16/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyGYTWLBYKCSTLFL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.87
Rot. Bonds5

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

(4,6-dipropylpyrimidin-2-yl)urea (PubChem CID 23036910) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (4,6-dipropylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name(4,6-dipropylpyrimidin-2-yl)urea
PubChem CID23036910
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(4,6-dipropylpyrimidin-2-yl)urea
SMILESCCCc1cc(CCC)nc(NC(N)=O)n1
InChIInChI=1S/C11H18N4O/c1-3-5-8-7-9(6-4-2)14-11(13-8)15-10(12)16/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyGYTWLBYKCSTLFL-UHFFFAOYSA-N
XLogP1.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,6-dipropylpyrimidin-2-yl)urea?
The IUPAC name of (4,6-dipropylpyrimidin-2-yl)urea (CID 23036910) is (4,6-dipropylpyrimidin-2-yl)urea.
What is the SMILES notation for (4,6-dipropylpyrimidin-2-yl)urea?
The canonical SMILES for (4,6-dipropylpyrimidin-2-yl)urea is CCCc1cc(CCC)nc(NC(N)=O)n1.
What is the InChIKey of (4,6-dipropylpyrimidin-2-yl)urea?
The InChIKey is GYTWLBYKCSTLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-5-8-7-9(6-4-2)14-11(13-8)15-10(12)16/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of (4,6-dipropylpyrimidin-2-yl)urea?
(4,6-dipropylpyrimidin-2-yl)urea has a molecular weight of 222.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dipropylpyrimidin-2-yl)urea is sourced from PubChem (CID 23036910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).