[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine

C12H13N5O4 — CID 80906474

IUPAC[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine
SMILESCOc1cccc(COc2ncnc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H13N5O4/c1-20-9-4-2-3-8(5-9)6-21-12-10(17(18)19)11(16-13)14-7-15-12/h2-5,7H,6,13H2,1H3,(H,14,15,16)
InChIKeyOBGFSMOEDUVXKP-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.26
Rot. Bonds6

About [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine

[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 80906474) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine
PubChem CID80906474
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine
SMILESCOc1cccc(COc2ncnc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H13N5O4/c1-20-9-4-2-3-8(5-9)6-21-12-10(17(18)19)11(16-13)14-7-15-12/h2-5,7H,6,13H2,1H3,(H,14,15,16)
InChIKeyOBGFSMOEDUVXKP-UHFFFAOYSA-N
XLogP1.26
TPSA125.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.26
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

6-[(3-methoxyphenyl)methoxy]-N,5-dimethylpyrimidin-4-amine
CID 80867778
6-[3-(methoxymethyl)phenoxy]-5-nitropyrimidin-4-amine
CID 80876502
5-nitro-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80844165
2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
CID 80912433
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 80920876
4-methoxy-5-nitro-6-(3-phenylmethoxyphenoxy)pyrimidine
CID 146290818
5-[(3-methoxyphenyl)methoxy]-2-nitroaniline
CID 106751925
[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80920818
[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80925033
N'-[6-(3-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23482505
[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine
CID 82957059

Frequently Asked Questions

What is the IUPAC name of [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine (CID 80906474) is [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine is COc1cccc(COc2ncnc(NN)c2[N+](=O)[O-])c1.
What is the InChIKey of [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is OBGFSMOEDUVXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-20-9-4-2-3-8(5-9)6-21-12-10(17(18)19)11(16-13)14-7-15-12/h2-5,7H,6,13H2,1H3,(H,14,15,16).
What are the key properties of [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine?
[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 291.27 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80906474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).