4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine

C11H22N6 — CID 80915909

IUPAC4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCC(CC)(CC)Nc1cc(NN)nc(N)n1
InChIInChI=1S/C11H22N6/c1-4-11(5-2,6-3)16-8-7-9(17-13)15-10(12)14-8/h7H,4-6,13H2,1-3H3,(H4,12,14,15,16,17)
InChIKeyZTFQRIIMNAMUPB-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.73
Rot. Bonds6

About 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80915909) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80915909
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCC(CC)(CC)Nc1cc(NN)nc(N)n1
InChIInChI=1S/C11H22N6/c1-4-11(5-2,6-3)16-8-7-9(17-13)15-10(12)14-8/h7H,4-6,13H2,1-3H3,(H4,12,14,15,16,17)
InChIKeyZTFQRIIMNAMUPB-UHFFFAOYSA-N
XLogP1.73
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80915524
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-ethylbutan-1-ol
CID 114564895
6-hydrazinyl-2-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80921159
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855657
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-(2,2-dimethylhydrazinyl)-6-hydrazinylpyrimidin-2-amine
CID 83027397
4-N-[2-(dimethylamino)-2-methylpropyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80900880
4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80768145
4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
CID 80907899
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 80937626

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine (CID 80915909) is 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine is CCC(CC)(CC)Nc1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is ZTFQRIIMNAMUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-4-11(5-2,6-3)16-8-7-9(17-13)15-10(12)14-8/h7H,4-6,13H2,1-3H3,(H4,12,14,15,16,17).
What are the key properties of 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 238.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80915909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).