6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine

C13H24N6O2 — CID 80929018

IUPAC6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(CC(C)C)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H24N6O2/c1-5-10(6-2)18(7-9(3)4)13-11(19(20)21)12(17-14)15-8-16-13/h8-10H,5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyNWPZXCKVHRPUNJ-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.32
Rot. Bonds8

About 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine

6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 80929018) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
PubChem CID80929018
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(CC(C)C)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H24N6O2/c1-5-10(6-2)18(7-9(3)4)13-11(19(20)21)12(17-14)15-8-16-13/h8-10H,5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyNWPZXCKVHRPUNJ-UHFFFAOYSA-N
XLogP2.32
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.32
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'}

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Related Compounds

6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80905174
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192603
6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646
6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 112668063
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80896203
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
6-N-methyl-5-nitro-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80776075

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine (CID 80929018) is 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)N(CC(C)C)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is NWPZXCKVHRPUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-5-10(6-2)18(7-9(3)4)13-11(19(20)21)12(17-14)15-8-16-13/h8-10H,5-7,14H2,1-4H3,(H,15,16,17).
What are the key properties of 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine?
6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 296.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80929018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).