6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine

C9H11N7O3 — CID 80902807

IUPAC6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1cc(CNc2ncnc(NN)c2[N+](=O)[O-])no1
InChIInChI=1S/C9H11N7O3/c1-5-2-6(15-19-5)3-11-8-7(16(17)18)9(14-10)13-4-12-8/h2,4H,3,10H2,1H3,(H2,11,12,13,14)
InChIKeySOUUWBPJQZPMIE-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.58
Rot. Bonds5

About 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine

6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 80902807) has the molecular formula C9H11N7O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID80902807
Molecular FormulaC9H11N7O3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1cc(CNc2ncnc(NN)c2[N+](=O)[O-])no1
InChIInChI=1S/C9H11N7O3/c1-5-2-6(15-19-5)3-11-8-7(16(17)18)9(14-10)13-4-12-8/h2,4H,3,10H2,1H3,(H2,11,12,13,14)
InChIKeySOUUWBPJQZPMIE-UHFFFAOYSA-N
XLogP0.58
TPSA145.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101050
6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114185580
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
6-N-benzyl-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 23478898
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79534435
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
1-N-ethyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitrobenzene-1,3-diamine
CID 80814125
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-5-nitropyrimidin-4-amine
CID 102908987
ethyl 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]acetate
CID 80899244
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813211

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine (CID 80902807) is 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine is Cc1cc(CNc2ncnc(NN)c2[N+](=O)[O-])no1.
What is the InChIKey of 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is SOUUWBPJQZPMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O3/c1-5-2-6(15-19-5)3-11-8-7(16(17)18)9(14-10)13-4-12-8/h2,4H,3,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 265.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80902807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).