[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride

C10H16Cl2N4O2 — CID 70533731

IUPAC[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride
SMILESCl.Cl.NC(=O)N=C(N)CCOCc1ccccn1
InChIInChI=1S/C10H14N4O2.2ClH/c11-9(14-10(12)15)4-6-16-7-8-3-1-2-5-13-8;;/h1-3,5H,4,6-7H2,(H4,11,12,14,15);2*1H
InChIKeyQXKPBGXPVKFYEM-UHFFFAOYSA-N
MW295.17 g/mol
LogP1.27
Rot. Bonds5

About [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride

[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride (PubChem CID 70533731) has the molecular formula C10H16Cl2N4O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride.

Molecular Properties

Compound Name[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride
PubChem CID70533731
Molecular FormulaC10H16Cl2N4O2
Molecular Weight295.17 g/mol
Exact Mass294.07
IUPAC Name[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride
SMILESCl.Cl.NC(=O)N=C(N)CCOCc1ccccn1
InChIInChI=1S/C10H14N4O2.2ClH/c11-9(14-10(12)15)4-6-16-7-8-3-1-2-5-13-8;;/h1-3,5H,4,6-7H2,(H4,11,12,14,15);2*1H
InChIKeyQXKPBGXPVKFYEM-UHFFFAOYSA-N
XLogP1.27
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride
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2-[2-(pyridin-2-ylmethoxy)ethoxy]ethyl 3,4-dimethylbenzoate
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N-methyl-2-(pyridin-2-ylmethoxy)acetamide
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pyridin-2-ylmethyl hypoiodite
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pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
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CID 83529934

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride?
The IUPAC name of [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride (CID 70533731) is [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride.
What is the SMILES notation for [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride?
The canonical SMILES for [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride is Cl.Cl.NC(=O)N=C(N)CCOCc1ccccn1.
What is the InChIKey of [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride?
The InChIKey is QXKPBGXPVKFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.2ClH/c11-9(14-10(12)15)4-6-16-7-8-3-1-2-5-13-8;;/h1-3,5H,4,6-7H2,(H4,11,12,14,15);2*1H.
What are the key properties of [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride?
[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride has a molecular weight of 295.17 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride is sourced from PubChem (CID 70533731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).