2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide

C9H14N4O2 — CID 79630983

IUPAC2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide
SMILESCC(C)(Cn1cccnc1=O)C(=O)NN
InChIInChI=1S/C9H14N4O2/c1-9(2,7(14)12-10)6-13-5-3-4-11-8(13)15/h3-5H,6,10H2,1-2H3,(H,12,14)
InChIKeyJMUJUSMSCUIVHG-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.74
Rot. Bonds3

About 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide

2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 79630983) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide
PubChem CID79630983
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide
SMILESCC(C)(Cn1cccnc1=O)C(=O)NN
InChIInChI=1S/C9H14N4O2/c1-9(2,7(14)12-10)6-13-5-3-4-11-8(13)15/h3-5H,6,10H2,1-2H3,(H,12,14)
InChIKeyJMUJUSMSCUIVHG-UHFFFAOYSA-N
XLogP-0.74
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.74
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 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide (CID 79630983) is 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide is CC(C)(Cn1cccnc1=O)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is JMUJUSMSCUIVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(2,7(14)12-10)6-13-5-3-4-11-8(13)15/h3-5H,6,10H2,1-2H3,(H,12,14).
What are the key properties of 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide?
2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 210.24 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 79630983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).