1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea

C12H18N4O2 — CID 47221085

IUPAC1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCCNC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C12H18N4O2/c1-2-13-12(17)15-10-3-4-11(14-9-10)16-5-7-18-8-6-16/h3-4,9H,2,5-8H2,1H3,(H2,13,15,17)
InChIKeyOHELZKDKYYAHMN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds3

About 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 47221085) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID47221085
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCCNC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C12H18N4O2/c1-2-13-12(17)15-10-3-4-11(14-9-10)16-5-7-18-8-6-16/h3-4,9H,2,5-8H2,1H3,(H2,13,15,17)
InChIKeyOHELZKDKYYAHMN-UHFFFAOYSA-N
XLogP1.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 47221085) is 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea is CCNC(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is OHELZKDKYYAHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-13-12(17)15-10-3-4-11(14-9-10)16-5-7-18-8-6-16/h3-4,9H,2,5-8H2,1H3,(H2,13,15,17).
What are the key properties of 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 250.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 47221085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).