2-amino-5-methoxypyrimidine-4-carboxylic acid

C6H7N3O3 — CID 83816093

IUPAC2-amino-5-methoxypyrimidine-4-carboxylic acid
SMILESCOc1cnc(N)nc1C(=O)O
InChIInChI=1S/C6H7N3O3/c1-12-3-2-8-6(7)9-4(3)5(10)11/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKeyOVICJYZTYIMSAH-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.23
Rot. Bonds2

About 2-amino-5-methoxypyrimidine-4-carboxylic acid

2-amino-5-methoxypyrimidine-4-carboxylic acid (PubChem CID 83816093) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-amino-5-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-methoxypyrimidine-4-carboxylic acid
PubChem CID83816093
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-amino-5-methoxypyrimidine-4-carboxylic acid
SMILESCOc1cnc(N)nc1C(=O)O
InChIInChI=1S/C6H7N3O3/c1-12-3-2-8-6(7)9-4(3)5(10)11/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKeyOVICJYZTYIMSAH-UHFFFAOYSA-N
XLogP-0.23
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethoxypyrimidin-2-amine
CID 12988104
5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid
CID 83824583
5-amino-2-methoxypyrimidine-4-carboxylic acid
CID 105434001
5-(2-amino-5-methoxypyrimidin-4-yl)-4-methoxypyrimidin-2-amine
CID 51063035
6-acetyl-3-methoxypyridine-2-carboxylic acid
CID 83818532
6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
CID 90819541
5-methoxy-2-methylpyrimidine-4-carbonyl chloride
CID 119084988
2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 15556162
4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine
CID 165484904
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
5-isocyano-3-methoxypyridine-2-carboxylic acid
CID 123528832

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-5-methoxypyrimidine-4-carboxylic acid (CID 83816093) is 2-amino-5-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-methoxypyrimidine-4-carboxylic acid is COc1cnc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-methoxypyrimidine-4-carboxylic acid?
The InChIKey is OVICJYZTYIMSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-12-3-2-8-6(7)9-4(3)5(10)11/h2H,1H3,(H,10,11)(H2,7,8,9).
What are the key properties of 2-amino-5-methoxypyrimidine-4-carboxylic acid?
2-amino-5-methoxypyrimidine-4-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 83816093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).