N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C11H16N6O2 — CID 80897108

IUPACN-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(NC(C2CC2)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N6O2/c12-16-11-9(17(18)19)10(13-5-14-11)15-8(6-1-2-6)7-3-4-7/h5-8H,1-4,12H2,(H2,13,14,15,16)
InChIKeyFPNPRKYJXGTXTH-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.27
Rot. Bonds6

About N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 80897108) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID80897108
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC NameN-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(NC(C2CC2)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N6O2/c12-16-11-9(17(18)19)10(13-5-14-11)15-8(6-1-2-6)7-3-4-7/h5-8H,1-4,12H2,(H2,13,14,15,16)
InChIKeyFPNPRKYJXGTXTH-UHFFFAOYSA-N
XLogP1.27
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.27
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

4-N-(dicyclopropylmethyl)-5-nitropyrimidine-4,6-diamine
CID 80800116
4-N-(1-cyclopropylethyl)-5-nitropyrimidine-4,6-diamine
CID 80780873
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80897150
6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907034
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80915027
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80895976
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 80897108) is N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is NNc1ncnc(NC(C2CC2)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is FPNPRKYJXGTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c12-16-11-9(17(18)19)10(13-5-14-11)15-8(6-1-2-6)7-3-4-7/h5-8H,1-4,12H2,(H2,13,14,15,16).
What are the key properties of N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 264.29 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80897108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).