6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine

C12H20N6O2 — CID 80902263

IUPAC6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
SMILESCC1CCCCC1N(C)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N6O2/c1-8-5-3-4-6-9(8)17(2)12-10(18(19)20)11(16-13)14-7-15-12/h7-9H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyKGHCSLLVWRNMSL-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.69
Rot. Bonds4

About 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine

6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine (PubChem CID 80902263) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
PubChem CID80902263
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
SMILESCC1CCCCC1N(C)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N6O2/c1-8-5-3-4-6-9(8)17(2)12-10(18(19)20)11(16-13)14-7-15-12/h7-9H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyKGHCSLLVWRNMSL-UHFFFAOYSA-N
XLogP1.69
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454
4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 112726456
6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80896559
4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)-5-nitropyrimidine-4,6-diamine
CID 112726545
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 80906337
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine
CID 80900384
6-hydrazinyl-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914009

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine (CID 80902263) is 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine is CC1CCCCC1N(C)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine?
The InChIKey is KGHCSLLVWRNMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-8-5-3-4-6-9(8)17(2)12-10(18(19)20)11(16-13)14-7-15-12/h7-9H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80902263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).