[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea

C11H16N4O2 — CID 118333092

IUPAC[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea
SMILESCC1COCCN1c1ccc(NC(N)=O)cn1
InChIInChI=1S/C11H16N4O2/c1-8-7-17-5-4-15(8)10-3-2-9(6-13-10)14-11(12)16/h2-3,6,8H,4-5,7H2,1H3,(H3,12,14,16)
InChIKeyCVRJWJLKWLMDJE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.80
Rot. Bonds2

About [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea

[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea (PubChem CID 118333092) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea
PubChem CID118333092
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea
SMILESCC1COCCN1c1ccc(NC(N)=O)cn1
InChIInChI=1S/C11H16N4O2/c1-8-7-17-5-4-15(8)10-3-2-9(6-13-10)14-11(12)16/h2-3,6,8H,4-5,7H2,1H3,(H3,12,14,16)
InChIKeyCVRJWJLKWLMDJE-UHFFFAOYSA-N
XLogP0.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea?
The IUPAC name of [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea (CID 118333092) is [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea.
What is the SMILES notation for [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea?
The canonical SMILES for [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea is CC1COCCN1c1ccc(NC(N)=O)cn1.
What is the InChIKey of [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea?
The InChIKey is CVRJWJLKWLMDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-7-17-5-4-15(8)10-3-2-9(6-13-10)14-11(12)16/h2-3,6,8H,4-5,7H2,1H3,(H3,12,14,16).
What are the key properties of [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea?
[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea has a molecular weight of 236.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea is sourced from PubChem (CID 118333092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).