2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine

C12H23N5O — CID 82947715

IUPAC2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine
SMILESCCCOCCCNc1cc(NN)nc(CC)n1
InChIInChI=1S/C12H23N5O/c1-3-7-18-8-5-6-14-11-9-12(17-13)16-10(4-2)15-11/h9H,3-8,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyOEPVEUPIIPLMRP-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.55
Rot. Bonds9

About 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine

2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine (PubChem CID 82947715) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine
PubChem CID82947715
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine
SMILESCCCOCCCNc1cc(NN)nc(CC)n1
InChIInChI=1S/C12H23N5O/c1-3-7-18-8-5-6-14-11-9-12(17-13)16-10(4-2)15-11/h9H,3-8,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyOEPVEUPIIPLMRP-UHFFFAOYSA-N
XLogP1.55
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.55
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

6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
CID 82946500
2-ethyl-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-amine
CID 80938072
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80937148
2-ethyl-6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137244
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242008
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115523284
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80937540
N-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80937853
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
CID 106311467

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine (CID 82947715) is 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine is CCCOCCCNc1cc(NN)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine?
The InChIKey is OEPVEUPIIPLMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-7-18-8-5-6-14-11-9-12(17-13)16-10(4-2)15-11/h9H,3-8,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 82947715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).