2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid

C7H9N3O3 — CID 90980975

IUPAC2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCONc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C7H9N3O3/c1-4-5(6(11)12)3-8-7(9-4)10-13-2/h3H,1-2H3,(H,11,12)(H,8,9,10)
InChIKeyYSZJWYUHMJGDEH-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.46
Rot. Bonds3

About 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid

2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 90980975) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID90980975
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCONc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C7H9N3O3/c1-4-5(6(11)12)3-8-7(9-4)10-13-2/h3H,1-2H3,(H,11,12)(H,8,9,10)
InChIKeyYSZJWYUHMJGDEH-UHFFFAOYSA-N
XLogP0.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.46
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

Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate
CID 2737153
4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
CID 3613356
Methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate
CID 3343807
2-Amino-4-methylpyrimidine-5-carboxylic acid
CID 3156772
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
CID 21220624
5-Pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CID 459813
2-(Butylamino)-4-methylpyrimidine-5-carboxylic acid
CID 66490403
2-Amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 3754696
Ethyl 2-hydrazinyl-4-methylpyrimidine-5-carboxylate
CID 12427976
4,6-Dimethylpyrimidine-5-carboxylic acid
CID 14922222
4-Methyl-5-pyrimidinecarboxylic acid
CID 14922219
2-Cyclopropyl-4-methylpyrimidine-5-carboxylic acid
CID 22308493

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid (CID 90980975) is 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid is CONc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is YSZJWYUHMJGDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-5(6(11)12)3-8-7(9-4)10-13-2/h3H,1-2H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid?
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 90980975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).