N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine

C9H17N5O — CID 80944662

IUPACN-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
SMILESCCOCCCNc1ccnc(NN)n1
InChIInChI=1S/C9H17N5O/c1-2-15-7-3-5-11-8-4-6-12-9(13-8)14-10/h4,6H,2-3,5,7,10H2,1H3,(H2,11,12,13,14)
InChIKeyXLURFFQXIARQDF-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.60
Rot. Bonds7

About N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine

N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80944662) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80944662
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
SMILESCCOCCCNc1ccnc(NN)n1
InChIInChI=1S/C9H17N5O/c1-2-15-7-3-5-11-8-4-6-12-9(13-8)14-10/h4,6H,2-3,5,7,10H2,1H3,(H2,11,12,13,14)
InChIKeyXLURFFQXIARQDF-UHFFFAOYSA-N
XLogP0.60
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912235
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908527
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
N-(3-ethoxypropyl)-6-hydrazinylpyrazin-2-amine
CID 80942888
4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 80792890
N-(2-hydrazinylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80918773
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
N-(3-ethoxypropyl)-6-hydrazinylpyrimidin-4-amine
CID 80944066
N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine
CID 106308298
2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899162

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine (CID 80944662) is N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine is CCOCCCNc1ccnc(NN)n1.
What is the InChIKey of N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is XLURFFQXIARQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-15-7-3-5-11-8-4-6-12-9(13-8)14-10/h4,6H,2-3,5,7,10H2,1H3,(H2,11,12,13,14).
What are the key properties of N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine?
N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 211.27 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80944662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).