[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine

C8H13N5O4 — CID 80925033

IUPAC[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine
SMILESCOCC(C)Oc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C8H13N5O4/c1-5(3-16-2)17-8-6(13(14)15)7(12-9)10-4-11-8/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyIYBJWAQKTQQGHD-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.08
Rot. Bonds6

About [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine

[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 80925033) has the molecular formula C8H13N5O4 and a molecular weight of 243.22 g/mol. Its IUPAC name is [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID80925033
Molecular FormulaC8H13N5O4
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine
SMILESCOCC(C)Oc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C8H13N5O4/c1-5(3-16-2)17-8-6(13(14)15)7(12-9)10-4-11-8/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyIYBJWAQKTQQGHD-UHFFFAOYSA-N
XLogP0.08
TPSA125.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.08
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-(1-methoxypropan-2-yloxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80925441
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80896203
2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
CID 80912433
N-ethyl-6-(3-methylbutan-2-yloxy)-5-nitropyrimidin-4-amine
CID 80882486
[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine
CID 82957059
N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454625
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
6-(2-methylpropoxy)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454610
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-5-nitropyrimidin-4-amine
CID 102908987
6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146

Frequently Asked Questions

What is the IUPAC name of [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine (CID 80925033) is [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine is COCC(C)Oc1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is IYBJWAQKTQQGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4/c1-5(3-16-2)17-8-6(13(14)15)7(12-9)10-4-11-8/h4-5H,3,9H2,1-2H3,(H,10,11,12).
What are the key properties of [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine?
[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 243.22 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80925033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).