2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid

C12H11N3O3 — CID 28799604

IUPAC2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)nc(N)n1
InChIInChI=1S/C12H11N3O3/c1-18-10-5-3-2-4-7(10)8-6-9(11(16)17)15-12(13)14-8/h2-6H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyCREHLEBYTKRJJW-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid

2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 28799604) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID28799604
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)nc(N)n1
InChIInChI=1S/C12H11N3O3/c1-18-10-5-3-2-4-7(10)8-6-9(11(16)17)15-12(13)14-8/h2-6H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyCREHLEBYTKRJJW-UHFFFAOYSA-N
XLogP1.43
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414
2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
CID 54851651
4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 68953049
methyl 4-chloro-6-(2-methoxyphenyl)pyridine-2-carboxylate
CID 12784965
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313
2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
CID 54852211
ethyl 2-amino-6-[2-(2-methylprop-2-enoxy)phenyl]pyrimidine-4-carboxylate
CID 54850288
3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687
2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 28799560
2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
CID 54853938

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid (CID 28799604) is 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid is COc1ccccc1-c1cc(C(=O)O)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is CREHLEBYTKRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-10-5-3-2-4-7(10)8-6-9(11(16)17)15-12(13)14-8/h2-6H,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid?
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 28799604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).