1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

C10H17ClN6 — CID 80914551

IUPAC1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc(NN)ncc2Cl)C1
InChIInChI=1S/C10H17ClN6/c1-16(2)7-3-4-17(6-7)9-8(11)5-13-10(14-9)15-12/h5,7H,3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyIMIUXUKEAWZRGH-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.56
Rot. Bonds3

About 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 80914551) has the molecular formula C10H17ClN6 and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID80914551
Molecular FormulaC10H17ClN6
Molecular Weight256.74 g/mol
Exact Mass256.12
IUPAC Name1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc(NN)ncc2Cl)C1
InChIInChI=1S/C10H17ClN6/c1-16(2)7-3-4-17(6-7)9-8(11)5-13-10(14-9)15-12/h5,7H,3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyIMIUXUKEAWZRGH-UHFFFAOYSA-N
XLogP0.56
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.56
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

5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674652
[4-(azetidin-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 130548753
[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 80932155
[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 114542250
[5-methyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80899468
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020
2-[4-(5-chloro-2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 80906441
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80927595
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854578
4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
CID 80793194

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (CID 80914551) is 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc(NN)ncc2Cl)C1.
What is the InChIKey of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is IMIUXUKEAWZRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6/c1-16(2)7-3-4-17(6-7)9-8(11)5-13-10(14-9)15-12/h5,7H,3-4,6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 256.74 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 80914551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).