4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

C6H8N4O3 — CID 14437538

IUPAC4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(NN)c1C(=O)O
InChIInChI=1S/C6H8N4O3/c1-2-3(5(11)12)4(10-7)9-6(13)8-2/h7H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyVUAOXVQKVZUBJC-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.94
Rot. Bonds2

About 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 14437538) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID14437538
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(NN)c1C(=O)O
InChIInChI=1S/C6H8N4O3/c1-2-3(5(11)12)4(10-7)9-6(13)8-2/h7H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyVUAOXVQKVZUBJC-UHFFFAOYSA-N
XLogP-0.94
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylic acid
CID 82399784
4-(difluoromethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43169264
4-cyclopentylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43169291
4-[3-(carbamoylamino)-3-oxopropyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43352647
4-(2-fluoroethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 80698478
4-(2-acetamidoethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43352667
5-amino-6-methyl-4-(methylamino)-1H-pyrimidin-2-one
CID 131028516
4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82483307
4-(2-hydroxycyclohexyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 60885666
6-methyl-2-oxo-4-pentylsulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350609
5-carbamoyl-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxylic acid
CID 164905034
6-methyl-2-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350689

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 14437538) is 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid is Cc1[nH]c(=O)nc(NN)c1C(=O)O.
What is the InChIKey of 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is VUAOXVQKVZUBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-2-3(5(11)12)4(10-7)9-6(13)8-2/h7H2,1H3,(H,11,12)(H2,8,9,10,13).
What are the key properties of 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 184.16 g/mol, XLogP of -0.94, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 14437538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).