[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine

C11H11N5O3 — CID 114045144

IUPAC[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
SMILESCc1ccc(Oc2nc(NN)ncc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O3/c1-7-2-4-8(5-3-7)19-10-9(16(17)18)6-13-11(14-10)15-12/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyWOOUKBUKZKOWKO-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.77
Rot. Bonds4

About [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine

[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine (PubChem CID 114045144) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
PubChem CID114045144
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
SMILESCc1ccc(Oc2nc(NN)ncc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O3/c1-7-2-4-8(5-3-7)19-10-9(16(17)18)6-13-11(14-10)15-12/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyWOOUKBUKZKOWKO-UHFFFAOYSA-N
XLogP1.77
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.77
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

N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408
2,4-bis(4-methoxyphenoxy)-5-nitropyrimidine
CID 58243049
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine
CID 114044250
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
5-chloro-N-methyl-4-(3-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80871950
[6-(4-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80915190
[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107501836
[4-(4-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920014
[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920594
2-(4-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131555

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine (CID 114045144) is [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine is Cc1ccc(Oc2nc(NN)ncc2[N+](=O)[O-])cc1.
What is the InChIKey of [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine?
The InChIKey is WOOUKBUKZKOWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-7-2-4-8(5-3-7)19-10-9(16(17)18)6-13-11(14-10)15-12/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine?
[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine has a molecular weight of 261.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114045144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).