1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea

C14H21BrN4O2 — CID 68641514

IUPAC1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(N2CC(C)OC(C)C2)c(Br)cn1
InChIInChI=1S/C14H21BrN4O2/c1-4-16-14(20)18-13-5-12(11(15)6-17-13)19-7-9(2)21-10(3)8-19/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18,20)
InChIKeyILPADHRJEXHTTO-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.60
Rot. Bonds3

About 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea

1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea (PubChem CID 68641514) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea
PubChem CID68641514
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Name1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(N2CC(C)OC(C)C2)c(Br)cn1
InChIInChI=1S/C14H21BrN4O2/c1-4-16-14(20)18-13-5-12(11(15)6-17-13)19-7-9(2)21-10(3)8-19/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18,20)
InChIKeyILPADHRJEXHTTO-UHFFFAOYSA-N
XLogP2.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea (CID 68641514) is 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(N2CC(C)OC(C)C2)c(Br)cn1.
What is the InChIKey of 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea?
The InChIKey is ILPADHRJEXHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-4-16-14(20)18-13-5-12(11(15)6-17-13)19-7-9(2)21-10(3)8-19/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea?
1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea has a molecular weight of 357.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 68641514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).