6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine

C12H14N6O3 — CID 80900384

IUPAC6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine
SMILESCOc1ccc(N(C)c2ncnc(NN)c2[N+](=O)[O-])cc1
InChIInChI=1S/C12H14N6O3/c1-17(8-3-5-9(21-2)6-4-8)12-10(18(19)20)11(16-13)14-7-15-12/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyGDXPERUOHUVGCF-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.45
Rot. Bonds5

About 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine

6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 80900384) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine
PubChem CID80900384
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine
SMILESCOc1ccc(N(C)c2ncnc(NN)c2[N+](=O)[O-])cc1
InChIInChI=1S/C12H14N6O3/c1-17(8-3-5-9(21-2)6-4-8)12-10(18(19)20)11(16-13)14-7-15-12/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyGDXPERUOHUVGCF-UHFFFAOYSA-N
XLogP1.45
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
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

4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]benzonitrile
CID 80904305
6-N-(4-methoxyphenyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526954
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-propylpyrimidin-4-amine
CID 80900380
6-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526972
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]benzonitrile
CID 80930017
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80896203
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22527016
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine (CID 80900384) is 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine is COc1ccc(N(C)c2ncnc(NN)c2[N+](=O)[O-])cc1.
What is the InChIKey of 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is GDXPERUOHUVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-17(8-3-5-9(21-2)6-4-8)12-10(18(19)20)11(16-13)14-7-15-12/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 290.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80900384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).