N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C12H24N6 — CID 80900495

IUPACN'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1ccnc(NN)n1
InChIInChI=1S/C12H24N6/c1-10(2)9-18(8-7-17(3)4)11-5-6-14-12(15-11)16-13/h5-6,10H,7-9,13H2,1-4H3,(H,14,15,16)
InChIKeySYSQURMBABELBH-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.79
Rot. Bonds7

About N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 80900495) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID80900495
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC NameN'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1ccnc(NN)n1
InChIInChI=1S/C12H24N6/c1-10(2)9-18(8-7-17(3)4)11-5-6-14-12(15-11)16-13/h5-6,10H,7-9,13H2,1-4H3,(H,14,15,16)
InChIKeySYSQURMBABELBH-UHFFFAOYSA-N
XLogP0.79
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
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

2-[(2-hydrazinylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901634
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55006973
N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365
2-hydrazinyl-N-propan-2-yl-N-propylpyrimidin-4-amine
CID 80895366
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
CID 55009052
3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80905657
N'-[6-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255713
N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785653
2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80795078
2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
CID 62343656
3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
CID 102985665

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 80900495) is N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)c1ccnc(NN)n1.
What is the InChIKey of N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is SYSQURMBABELBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-10(2)9-18(8-7-17(3)4)11-5-6-14-12(15-11)16-13/h5-6,10H,7-9,13H2,1-4H3,(H,14,15,16).
What are the key properties of N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 252.37 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 80900495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).