1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea

C12H19N3O2 — CID 75484664

IUPAC1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea
SMILESCCC(COC)NC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C12H19N3O2/c1-4-10(8-17-3)14-12(16)15-11-7-9(2)5-6-13-11/h5-7,10H,4,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyRQQANULKKKQQEE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.94
Rot. Bonds5

About 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea

1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea (PubChem CID 75484664) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea
PubChem CID75484664
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea
SMILESCCC(COC)NC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C12H19N3O2/c1-4-10(8-17-3)14-12(16)15-11-7-9(2)5-6-13-11/h5-7,10H,4,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyRQQANULKKKQQEE-UHFFFAOYSA-N
XLogP1.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea (CID 75484664) is 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea is CCC(COC)NC(=O)Nc1cc(C)ccn1.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is RQQANULKKKQQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-10(8-17-3)14-12(16)15-11-7-9(2)5-6-13-11/h5-7,10H,4,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea?
1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75484664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).