3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide

C11H18N4O2 — CID 79630802

IUPAC3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCc1cc(=O)n(CC(C)(C)C(=O)NN)c(C)n1
InChIInChI=1S/C11H18N4O2/c1-7-5-9(16)15(8(2)13-7)6-11(3,4)10(17)14-12/h5H,6,12H2,1-4H3,(H,14,17)
InChIKeyJVPGAHDYGAKISQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.12
Rot. Bonds3

About 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide

3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79630802) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79630802
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCc1cc(=O)n(CC(C)(C)C(=O)NN)c(C)n1
InChIInChI=1S/C11H18N4O2/c1-7-5-9(16)15(8(2)13-7)6-11(3,4)10(17)14-12/h5H,6,12H2,1-4H3,(H,14,17)
InChIKeyJVPGAHDYGAKISQ-UHFFFAOYSA-N
XLogP-0.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide (CID 79630802) is 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide is Cc1cc(=O)n(CC(C)(C)C(=O)NN)c(C)n1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is JVPGAHDYGAKISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-5-9(16)15(8(2)13-7)6-11(3,4)10(17)14-12/h5H,6,12H2,1-4H3,(H,14,17).
What are the key properties of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 238.29 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79630802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).