[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea

C13H21N3O2 — CID 146318106

IUPAC[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
SMILESCOc1cc(C(C)C)c(NC(N)=O)c(C(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-7(2)9-6-10(18-5)15-11(8(3)4)12(9)16-13(14)17/h6-8H,1-5H3,(H3,14,16,17)
InChIKeyBHYHDQQUMDFVMA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.83
Rot. Bonds4

About [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea

[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea (PubChem CID 146318106) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
PubChem CID146318106
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
SMILESCOc1cc(C(C)C)c(NC(N)=O)c(C(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-7(2)9-6-10(18-5)15-11(8(3)4)12(9)16-13(14)17/h6-8H,1-5H3,(H3,14,16,17)
InChIKeyBHYHDQQUMDFVMA-UHFFFAOYSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The IUPAC name of [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea (CID 146318106) is [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The canonical SMILES for [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea is COc1cc(C(C)C)c(NC(N)=O)c(C(C)C)n1.
What is the InChIKey of [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The InChIKey is BHYHDQQUMDFVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-7(2)9-6-10(18-5)15-11(8(3)4)12(9)16-13(14)17/h6-8H,1-5H3,(H3,14,16,17).
What are the key properties of [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea has a molecular weight of 251.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 146318106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).