2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide

C10H16N4O2 — CID 79631373

IUPAC2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1cnc(=O)n(CC(C)(C)C(=O)NN)c1
InChIInChI=1S/C10H16N4O2/c1-7-4-12-9(16)14(5-7)6-10(2,3)8(15)13-11/h4-5H,6,11H2,1-3H3,(H,13,15)
InChIKeyKIVDXYFOIXYCNU-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.43
Rot. Bonds3

About 2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide

2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 79631373) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
PubChem CID79631373
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1cnc(=O)n(CC(C)(C)C(=O)NN)c1
InChIInChI=1S/C10H16N4O2/c1-7-4-12-9(16)14(5-7)6-10(2,3)8(15)13-11/h4-5H,6,11H2,1-3H3,(H,13,15)
InChIKeyKIVDXYFOIXYCNU-UHFFFAOYSA-N
XLogP-0.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.43
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-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide (CID 79631373) is 2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide is Cc1cnc(=O)n(CC(C)(C)C(=O)NN)c1.
What is the InChIKey of 2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is KIVDXYFOIXYCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-4-12-9(16)14(5-7)6-10(2,3)8(15)13-11/h4-5H,6,11H2,1-3H3,(H,13,15).
What are the key properties of 2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide?
2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 224.26 g/mol, XLogP of -0.43, 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-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 79631373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).