6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine

C11H19N7O2 — CID 80903432

IUPAC6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCN1CCCCC1CNc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N7O2/c1-17-5-3-2-4-8(17)6-13-10-9(18(19)20)11(16-12)15-7-14-10/h7-8H,2-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyJDOIPOLGMHLEHX-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.57
Rot. Bonds5

About 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine

6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 80903432) has the molecular formula C11H19N7O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID80903432
Molecular FormulaC11H19N7O2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCN1CCCCC1CNc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N7O2/c1-17-5-3-2-4-8(17)6-13-10-9(18(19)20)11(16-12)15-7-14-10/h7-8H,2-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyJDOIPOLGMHLEHX-UHFFFAOYSA-N
XLogP0.57
TPSA122.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 106029026
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80925737
6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 114138405
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 106026114
3,5-dichloro-6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 102761888
N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80910265
5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80812781
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 63896770
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80902052
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine
CID 66020001
5-nitro-4-N,6-N-bis(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 11959076

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine (CID 80903432) is 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine is CN1CCCCC1CNc1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is JDOIPOLGMHLEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2/c1-17-5-3-2-4-8(17)6-13-10-9(18(19)20)11(16-12)15-7-14-10/h7-8H,2-6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80903432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).