6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide

C12H20N4O3 — CID 79374565

IUPAC6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
SMILESCOc1nc(C)cc(=O)n1CCCCCC(=O)NN
InChIInChI=1S/C12H20N4O3/c1-9-8-11(18)16(12(14-9)19-2)7-5-3-4-6-10(17)15-13/h8H,3-7,13H2,1-2H3,(H,15,17)
InChIKeyRRHOAEBXEGADFB-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.11
Rot. Bonds7

About 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide

6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide (PubChem CID 79374565) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
PubChem CID79374565
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
SMILESCOc1nc(C)cc(=O)n1CCCCCC(=O)NN
InChIInChI=1S/C12H20N4O3/c1-9-8-11(18)16(12(14-9)19-2)7-5-3-4-6-10(17)15-13/h8H,3-7,13H2,1-2H3,(H,15,17)
InChIKeyRRHOAEBXEGADFB-UHFFFAOYSA-N
XLogP0.11
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-Dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 55237239
4-(4-Methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 63571506
5-(4-Methyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 63577955
4-(2,4-Dimethyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 63794390
6-(2,4-Dimethyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 64294645
6-(4-Methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 64296002
6-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 66310054
6-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 66340898
3-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79374270
4-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 79374767
5-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 79375126

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide?
The IUPAC name of 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide (CID 79374565) is 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide?
The canonical SMILES for 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide is COc1nc(C)cc(=O)n1CCCCCC(=O)NN.
What is the InChIKey of 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide?
The InChIKey is RRHOAEBXEGADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9-8-11(18)16(12(14-9)19-2)7-5-3-4-6-10(17)15-13/h8H,3-7,13H2,1-2H3,(H,15,17).
What are the key properties of 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide?
6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide has a molecular weight of 268.32 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide is sourced from PubChem (CID 79374565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).