2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid

C11H9N3O3 — CID 105488937

IUPAC2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid
SMILESNc1ncc(-c2cccc(O)c2)c(C(=O)O)n1
InChIInChI=1S/C11H9N3O3/c12-11-13-5-8(9(14-11)10(16)17)6-2-1-3-7(15)4-6/h1-5,15H,(H,16,17)(H2,12,13,14)
InChIKeyLNWWSVCWVAJLQW-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid

2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 105488937) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID105488937
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid
SMILESNc1ncc(-c2cccc(O)c2)c(C(=O)O)n1
InChIInChI=1S/C11H9N3O3/c12-11-13-5-8(9(14-11)10(16)17)6-2-1-3-7(15)4-6/h1-5,15H,(H,16,17)(H2,12,13,14)
InChIKeyLNWWSVCWVAJLQW-UHFFFAOYSA-N
XLogP1.13
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690
2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid
CID 105487587
3-(2-aminoquinazolin-6-yl)benzoic acid
CID 58829166
4-chloro-5-phenylpyrimidin-2-amine
CID 89417218
5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 84726572
4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127525
4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
CID 135856929
2-(2-amino-5-phenylpyrimidin-4-yl)-5-propan-2-yloxyphenol
CID 135856927
6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
5-(3-hydroxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 13377503
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid
CID 170210771

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid (CID 105488937) is 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid is Nc1ncc(-c2cccc(O)c2)c(C(=O)O)n1.
What is the InChIKey of 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is LNWWSVCWVAJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-11-13-5-8(9(14-11)10(16)17)6-2-1-3-7(15)4-6/h1-5,15H,(H,16,17)(H2,12,13,14).
What are the key properties of 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid?
2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 105488937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).