5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide

C12H18N4O3 — CID 63795266

IUPAC5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCc1cc(=O)n(CC2CCC(C(=O)NN)O2)c(C)n1
InChIInChI=1S/C12H18N4O3/c1-7-5-11(17)16(8(2)14-7)6-9-3-4-10(19-9)12(18)15-13/h5,9-10H,3-4,6,13H2,1-2H3,(H,15,18)
InChIKeyVBVHMPFWJQCGEZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.60
Rot. Bonds3

About 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide

5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 63795266) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID63795266
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCc1cc(=O)n(CC2CCC(C(=O)NN)O2)c(C)n1
InChIInChI=1S/C12H18N4O3/c1-7-5-11(17)16(8(2)14-7)6-9-3-4-10(19-9)12(18)15-13/h5,9-10H,3-4,6,13H2,1-2H3,(H,15,18)
InChIKeyVBVHMPFWJQCGEZ-UHFFFAOYSA-N
XLogP-0.60
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63578294
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63794210
5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide
CID 114398521
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
CID 63579176
5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55213682
5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide
CID 63578508
2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 63768677
5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55214840
5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide
CID 66076177
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide
CID 104735553
5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
CID 107600048
3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
CID 104753256

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide (CID 63795266) is 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide is Cc1cc(=O)n(CC2CCC(C(=O)NN)O2)c(C)n1.
What is the InChIKey of 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is VBVHMPFWJQCGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-5-11(17)16(8(2)14-7)6-9-3-4-10(19-9)12(18)15-13/h5,9-10H,3-4,6,13H2,1-2H3,(H,15,18).
What are the key properties of 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 266.30 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63795266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).