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

C12H21N7O2 — CID 80906337

IUPAC6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCN1CCC(CN(C)c2ncnc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C12H21N7O2/c1-17-5-3-9(4-6-17)7-18(2)12-10(19(20)21)11(16-13)14-8-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyAWBKSTMXCSGQKG-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.45
Rot. Bonds5

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

6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 80906337) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID80906337
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCN1CCC(CN(C)c2ncnc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C12H21N7O2/c1-17-5-3-9(4-6-17)7-18(2)12-10(19(20)21)11(16-13)14-8-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyAWBKSTMXCSGQKG-UHFFFAOYSA-N
XLogP0.45
TPSA113.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
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

N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
6-hydrazinyl-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914009
6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80896559
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80824410
4-N-(cyclopropylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80797881
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
3-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]propanenitrile
CID 80916272
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563
[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 80896386

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine (CID 80906337) is 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine is CN1CCC(CN(C)c2ncnc(NN)c2[N+](=O)[O-])CC1.
What is the InChIKey of 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is AWBKSTMXCSGQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-17-5-3-9(4-6-17)7-18(2)12-10(19(20)21)11(16-13)14-8-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80906337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).