[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine

C12H13N5O3 — CID 80656024

IUPAC[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H13N5O3/c1-8-6-11(16-13)15-12(14-8)7-20-10-5-3-2-4-9(10)17(18)19/h2-6H,7,13H2,1H3,(H,14,15,16)
InChIKeyNANMBMJHNICBDH-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.56
Rot. Bonds5

About [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine

[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine (PubChem CID 80656024) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine
PubChem CID80656024
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H13N5O3/c1-8-6-11(16-13)15-12(14-8)7-20-10-5-3-2-4-9(10)17(18)19/h2-6H,7,13H2,1H3,(H,14,15,16)
InChIKeyNANMBMJHNICBDH-UHFFFAOYSA-N
XLogP1.56
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
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

6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80654595
N,6-dimethyl-2-[(3-methyl-2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80664084
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
[2-[(4-bromo-2-chlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656342
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
N,6-dimethyl-2-[(2-nitrophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 80654239
[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233113
4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile
CID 80664805
[2-[[3-(methoxymethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656236
[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 107170574

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine (CID 80656024) is [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(COc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine?
The InChIKey is NANMBMJHNICBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-6-11(16-13)15-12(14-8)7-20-10-5-3-2-4-9(10)17(18)19/h2-6H,7,13H2,1H3,(H,14,15,16).
What are the key properties of [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine?
[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine has a molecular weight of 275.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80656024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).