2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid

C7H10N4O2 — CID 107554298

IUPAC2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid
SMILESCN(C)Nc1nccc(C(=O)O)n1
InChIInChI=1S/C7H10N4O2/c1-11(2)10-7-8-4-3-5(9-7)6(12)13/h3-4H,1-2H3,(H,12,13)(H,8,9,10)
InChIKeyLGGBVNDXRSPOJP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.06
Rot. Bonds3

About 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid

2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid (PubChem CID 107554298) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid
PubChem CID107554298
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid
SMILESCN(C)Nc1nccc(C(=O)O)n1
InChIInChI=1S/C7H10N4O2/c1-11(2)10-7-8-4-3-5(9-7)6(12)13/h3-4H,1-2H3,(H,12,13)(H,8,9,10)
InChIKeyLGGBVNDXRSPOJP-UHFFFAOYSA-N
XLogP0.06
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-[(1-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107554402
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid
CID 107553462
2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid
CID 107553435
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyrimidine-4-carboxylic acid
CID 107854803
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
2-bromopyrimidine-4-carboxylic acid
CID 72710417
2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid
CID 167956665
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-(2-ethylsulfinylethylamino)pyrimidine-4-carboxylic acid
CID 107554425

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid (CID 107554298) is 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid is CN(C)Nc1nccc(C(=O)O)n1.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid?
The InChIKey is LGGBVNDXRSPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11(2)10-7-8-4-3-5(9-7)6(12)13/h3-4H,1-2H3,(H,12,13)(H,8,9,10).
What are the key properties of 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid?
2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).