1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea

C12H19N3O — CID 143056768

IUPAC1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
SMILESCCc1ccnc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H19N3O/c1-5-9-6-7-13-10(8-9)14-11(16)15-12(2,3)4/h6-8H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyLJJFYMWZBVADCW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.56
Rot. Bonds2

About 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea

1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea (PubChem CID 143056768) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
PubChem CID143056768
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
SMILESCCc1ccnc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H19N3O/c1-5-9-6-7-13-10(8-9)14-11(16)15-12(2,3)4/h6-8H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyLJJFYMWZBVADCW-UHFFFAOYSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea?
The IUPAC name of 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea (CID 143056768) is 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea is CCc1ccnc(NC(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea?
The InChIKey is LJJFYMWZBVADCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-9-6-7-13-10(8-9)14-11(16)15-12(2,3)4/h6-8H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea?
1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea has a molecular weight of 221.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea is sourced from PubChem (CID 143056768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).