N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C12H20N6O2 — CID 80915027

IUPACN-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCCC1CCCC(Nc2ncnc(NN)c2[N+](=O)[O-])C1
InChIInChI=1S/C12H20N6O2/c1-2-8-4-3-5-9(6-8)16-11-10(18(19)20)12(17-13)15-7-14-11/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyBLZWZKSDSHGPFH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.05
Rot. Bonds5

About N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 80915027) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID80915027
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCCC1CCCC(Nc2ncnc(NN)c2[N+](=O)[O-])C1
InChIInChI=1S/C12H20N6O2/c1-2-8-4-3-5-9(6-8)16-11-10(18(19)20)12(17-13)15-7-14-11/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyBLZWZKSDSHGPFH-UHFFFAOYSA-N
XLogP2.05
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
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'}

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Related Compounds

[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 80896386
4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487432
4-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
4-N-(3-methylcyclopentyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 114541985
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454
N-(3-ethylcyclohexyl)-3,5-difluoro-2-nitroaniline
CID 115507980
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80897108
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80925737
2-ethyl-N-(3-ethylcyclohexyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007268
N-(3-ethylcyclohexyl)-5-nitro-1,3-benzoxazol-2-amine
CID 79881748
6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80902156
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80902052

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 80915027) is N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is CCC1CCCC(Nc2ncnc(NN)c2[N+](=O)[O-])C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is BLZWZKSDSHGPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-2-8-4-3-5-9(6-8)16-11-10(18(19)20)12(17-13)15-7-14-11/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80915027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).