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

4-methyl-2-(3-methylbutan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181728
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid
CID 83181871
2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83184782
2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181278
4-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylic acid
CID 114518096
4-methyl-2-(pyridin-3-ylamino)pyrimidine-5-carboxylic acid
CID 83181577
4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid
CID 106213853
2-(4-bromo-3-methoxyanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83184960
4-methyl-2-(4-propan-2-ylanilino)pyrimidine-5-carboxylic acid
CID 83181873

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).