4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one

C9H15N7O — CID 80915875

IUPAC4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NN)nc(N)n2)CC1=O
InChIInChI=1S/C9H15N7O/c1-15-2-3-16(5-8(15)17)7-4-6(14-11)12-9(10)13-7/h4H,2-3,5,11H2,1H3,(H3,10,12,13,14)
InChIKeyZXURGYACOIZWCU-UHFFFAOYSA-N
MW237.27 g/mol
LogP-1.38
Rot. Bonds2

About 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one

4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one (PubChem CID 80915875) has the molecular formula C9H15N7O and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
PubChem CID80915875
Molecular FormulaC9H15N7O
Molecular Weight237.27 g/mol
Exact Mass237.13
IUPAC Name4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NN)nc(N)n2)CC1=O
InChIInChI=1S/C9H15N7O/c1-15-2-3-16(5-8(15)17)7-4-6(14-11)12-9(10)13-7/h4H,2-3,5,11H2,1H3,(H3,10,12,13,14)
InChIKeyZXURGYACOIZWCU-UHFFFAOYSA-N
XLogP-1.38
TPSA113.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
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

4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80932163
4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one
CID 104924420
4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80942182
4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102887981
4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80959189
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
N-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 113402704
4-hydrazinyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80918018
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine
CID 80929260
1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112629777

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one (CID 80915875) is 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one is CN1CCN(c2cc(NN)nc(N)n2)CC1=O.
What is the InChIKey of 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The InChIKey is ZXURGYACOIZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7O/c1-15-2-3-16(5-8(15)17)7-4-6(14-11)12-9(10)13-7/h4H,2-3,5,11H2,1H3,(H3,10,12,13,14).
What are the key properties of 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one?
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one has a molecular weight of 237.27 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 80915875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).