4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine

C8H17N7 — CID 80932754

IUPAC4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESCN(C)CCNc1cc(NN)nc(N)n1
InChIInChI=1S/C8H17N7/c1-15(2)4-3-11-6-5-7(14-10)13-8(9)12-6/h5H,3-4,10H2,1-2H3,(H4,9,11,12,13,14)
InChIKeyAFPUQMKMEKQOSG-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.68
Rot. Bonds5

About 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine

4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80932754) has the molecular formula C8H17N7 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80932754
Molecular FormulaC8H17N7
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESCN(C)CCNc1cc(NN)nc(N)n1
InChIInChI=1S/C8H17N7/c1-15(2)4-3-11-6-5-7(14-10)13-8(9)12-6/h5H,3-4,10H2,1-2H3,(H4,9,11,12,13,14)
InChIKeyAFPUQMKMEKQOSG-UHFFFAOYSA-N
XLogP-0.68
TPSA105.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
CID 90909451
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817210
4-N-[2-(dimethylamino)-2-methylpropyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80900880
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
4-(2,2-dimethylhydrazinyl)-6-hydrazinylpyrimidin-2-amine
CID 83027397
6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855025
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 114133534
6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
CID 82946500
N-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80937853

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine (CID 80932754) is 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine is CN(C)CCNc1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is AFPUQMKMEKQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7/c1-15(2)4-3-11-6-5-7(14-10)13-8(9)12-6/h5H,3-4,10H2,1-2H3,(H4,9,11,12,13,14).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of -0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80932754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).