N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine

C12H23N5 — CID 80915524

IUPACN-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCCC(CC)(CC)Nc1cc(NN)nc(C)n1
InChIInChI=1S/C12H23N5/c1-5-12(6-2,7-3)16-10-8-11(17-13)15-9(4)14-10/h8H,5-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyJNFVAWHHRDDJAA-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.45
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine

N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80915524) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80915524
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCCC(CC)(CC)Nc1cc(NN)nc(C)n1
InChIInChI=1S/C12H23N5/c1-5-12(6-2,7-3)16-10-8-11(17-13)15-9(4)14-10/h8H,5-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyJNFVAWHHRDDJAA-UHFFFAOYSA-N
XLogP2.45
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80915909
6-hydrazinyl-2-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80921159
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198904
(2,6-dimethylpyrimidin-4-yl)hydrazine
CID 736395
N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114944783
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
6-hydrazinyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80928670
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80903168
N-ethyl-2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]acetamide
CID 80907084

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80915524) is N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine is CCC(CC)(CC)Nc1cc(NN)nc(C)n1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is JNFVAWHHRDDJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-12(6-2,7-3)16-10-8-11(17-13)15-9(4)14-10/h8H,5-7,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80915524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).