1,3-diaminourea;3-methoxypyridine

C7H13N5O2 — CID 175323453

IUPAC1,3-diaminourea;3-methoxypyridine
SMILESCOc1cccnc1.NNC(=O)NN
InChIInChI=1S/C6H7NO.CH6N4O/c1-8-6-3-2-4-7-5-6;2-4-1(6)5-3/h2-5H,1H3;2-3H2,(H2,4,5,6)
InChIKeyDSURMZSABGUAGY-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.88
Rot. Bonds1

About 1,3-diaminourea;3-methoxypyridine

1,3-diaminourea;3-methoxypyridine (PubChem CID 175323453) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1,3-diaminourea;3-methoxypyridine.

Molecular Properties

Compound Name1,3-diaminourea;3-methoxypyridine
PubChem CID175323453
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name1,3-diaminourea;3-methoxypyridine
SMILESCOc1cccnc1.NNC(=O)NN
InChIInChI=1S/C6H7NO.CH6N4O/c1-8-6-3-2-4-7-5-6;2-4-1(6)5-3/h2-5H,1H3;2-3H2,(H2,4,5,6)
InChIKeyDSURMZSABGUAGY-UHFFFAOYSA-N
XLogP-0.88
TPSA115.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
butane;pyridin-3-yl carbamate
CID 69137647
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
(111C)methyl pyridine-3-carboxylate
CID 11309537
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
CID 54889099
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808

Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;3-methoxypyridine?
The IUPAC name of 1,3-diaminourea;3-methoxypyridine (CID 175323453) is 1,3-diaminourea;3-methoxypyridine.
What is the SMILES notation for 1,3-diaminourea;3-methoxypyridine?
The canonical SMILES for 1,3-diaminourea;3-methoxypyridine is COc1cccnc1.NNC(=O)NN.
What is the InChIKey of 1,3-diaminourea;3-methoxypyridine?
The InChIKey is DSURMZSABGUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.CH6N4O/c1-8-6-3-2-4-7-5-6;2-4-1(6)5-3/h2-5H,1H3;2-3H2,(H2,4,5,6).
What are the key properties of 1,3-diaminourea;3-methoxypyridine?
1,3-diaminourea;3-methoxypyridine has a molecular weight of 199.21 g/mol, XLogP of -0.88, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;3-methoxypyridine is sourced from PubChem (CID 175323453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).