1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea

C12H20N4O2 — CID 75485063

IUPAC1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea
SMILESCCOc1cccc(NC(=O)NCCN(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-4-18-11-7-5-6-10(14-11)15-12(17)13-8-9-16(2)3/h5-7H,4,8-9H2,1-3H3,(H2,13,14,15,17)
InChIKeyYSCPCNUWRUACIE-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.16
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea

1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea (PubChem CID 75485063) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea
PubChem CID75485063
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea
SMILESCCOc1cccc(NC(=O)NCCN(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-4-18-11-7-5-6-10(14-11)15-12(17)13-8-9-16(2)3/h5-7H,4,8-9H2,1-3H3,(H2,13,14,15,17)
InChIKeyYSCPCNUWRUACIE-UHFFFAOYSA-N
XLogP1.16
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea (CID 75485063) is 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea is CCOc1cccc(NC(=O)NCCN(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea?
The InChIKey is YSCPCNUWRUACIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-18-11-7-5-6-10(14-11)15-12(17)13-8-9-16(2)3/h5-7H,4,8-9H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea?
1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea has a molecular weight of 252.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea is sourced from PubChem (CID 75485063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).