N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine

C10H20N6 — CID 80908527

IUPACN-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1ccnc(NN)n1
InChIInChI=1S/C10H20N6/c1-16(2)8-4-3-6-12-9-5-7-13-10(14-9)15-11/h5,7H,3-4,6,8,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyOWFICPADQPFGPR-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds7

About N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine

N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 80908527) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID80908527
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC NameN-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1ccnc(NN)n1
InChIInChI=1S/C10H20N6/c1-16(2)8-4-3-6-12-9-5-7-13-10(14-9)15-11/h5,7H,3-4,6,8,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyOWFICPADQPFGPR-UHFFFAOYSA-N
XLogP0.52
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
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

2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912235
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
N-(2-hydrazinylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80918773
4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112887601
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
CID 80944662
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485
4-N-[3-(dimethylamino)propyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112887588
2-N-(2,3-difluorophenyl)-4-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 90698809
2-N-(2,5-dichlorophenyl)-4-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 91447813
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
2-N-[(2-chlorophenyl)methyl]-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887593

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (CID 80908527) is N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is CN(C)CCCCNc1ccnc(NN)n1.
What is the InChIKey of N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is OWFICPADQPFGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-16(2)8-4-3-6-12-9-5-7-13-10(14-9)15-11/h5,7H,3-4,6,8,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 80908527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).