6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

C11H13N7O2 — CID 80907034

IUPAC6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1ncnc(NN)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C11H13N7O2/c1-7(8-3-2-4-13-5-8)16-10-9(18(19)20)11(17-12)15-6-14-10/h2-7H,12H2,1H3,(H2,14,15,16,17)
InChIKeyVFNUECAAJQHWIW-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.24
Rot. Bonds5

About 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 80907034) has the molecular formula C11H13N7O2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID80907034
Molecular FormulaC11H13N7O2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1ncnc(NN)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C11H13N7O2/c1-7(8-3-2-4-13-5-8)16-10-9(18(19)20)11(17-12)15-6-14-10/h2-7H,12H2,1H3,(H2,14,15,16,17)
InChIKeyVFNUECAAJQHWIW-UHFFFAOYSA-N
XLogP1.24
TPSA131.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
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

6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481340
3-bromo-5-nitro-N-[(1R)-1-pyridin-3-ylethyl]pyridin-2-amine
CID 124508261
5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80779879
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
4-N,4-N-dimethyl-5-nitro-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23488900
5-nitro-4-N-(1-phenylethyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 23486521
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80901595
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80897108
6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80895976
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80897150
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398
6-N-(3,5-dichlorophenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23483543

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (CID 80907034) is 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is CC(Nc1ncnc(NN)c1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is VFNUECAAJQHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O2/c1-7(8-3-2-4-13-5-8)16-10-9(18(19)20)11(17-12)15-6-14-10/h2-7H,12H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 275.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80907034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).