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

C6H7N3O3 — CID 105434001

IUPAC5-amino-2-methoxypyrimidine-4-carboxylic acid
SMILESCOc1ncc(N)c(C(=O)O)n1
InChIInChI=1S/C6H7N3O3/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
InChIKeyKDXKJWKRTITSQJ-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.23
Rot. Bonds2

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

5-amino-2-methoxypyrimidine-4-carboxylic acid (PubChem CID 105434001) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-amino-2-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-methoxypyrimidine-4-carboxylic acid
PubChem CID105434001
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name5-amino-2-methoxypyrimidine-4-carboxylic acid
SMILESCOc1ncc(N)c(C(=O)O)n1
InChIInChI=1S/C6H7N3O3/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
InChIKeyKDXKJWKRTITSQJ-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

2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093
4-amino-2-methoxypyrimidin-5-ol
CID 131843778
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
CID 67791743
2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid
CID 82662650
4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid
CID 3693988
3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoic acid
CID 688431
propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate
CID 133059260
3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid
CID 68977215
1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone
CID 82657588
5-bromo-2-methoxy-4-methylpyrimidine
CID 51401365
3-methoxypyrazine-2-carboxylic acid
CID 22395692

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 5-amino-2-methoxypyrimidine-4-carboxylic acid (CID 105434001) is 5-amino-2-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-methoxypyrimidine-4-carboxylic acid is COc1ncc(N)c(C(=O)O)n1.
What is the InChIKey of 5-amino-2-methoxypyrimidine-4-carboxylic acid?
The InChIKey is KDXKJWKRTITSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11).
What are the key properties of 5-amino-2-methoxypyrimidine-4-carboxylic acid?
5-amino-2-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 5-amino-2-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 105434001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).