Anthranilic acid, N-(6-(2-aminopyrimidinyl))-

C11H10N4O2 — CID 35750

IUPAC2-[(2-aminopyrimidin-4-yl)amino]benzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)N
InChIInChI=1S/C11H10N4O2/c12-11-13-6-5-9(15-11)14-8-4-2-1-3-7(8)10(16)17/h1-6H,(H,16,17)(H3,12,13,14,15)
InChIKeySOJJTFYDOCVXLS-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.80
Rot. Bonds3

About Anthranilic acid, N-(6-(2-aminopyrimidinyl))-

Anthranilic acid, N-(6-(2-aminopyrimidinyl))- (PubChem CID 35750) has the molecular formula C11H10N4O2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)amino]benzoic acid.

Molecular Properties

Compound NameAnthranilic acid, N-(6-(2-aminopyrimidinyl))-
PubChem CID35750
Molecular FormulaC11H10N4O2
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-[(2-aminopyrimidin-4-yl)amino]benzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)N
InChIInChI=1S/C11H10N4O2/c12-11-13-6-5-9(15-11)14-8-4-2-1-3-7(8)10(16)17/h1-6H,(H,16,17)(H3,12,13,14,15)
InChIKeySOJJTFYDOCVXLS-UHFFFAOYSA-N
XLogP1.80
TPSA101.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Anthranilic acid, N-(6-(2-aminopyrimidinyl))-?
The IUPAC name of Anthranilic acid, N-(6-(2-aminopyrimidinyl))- (CID 35750) is 2-[(2-aminopyrimidin-4-yl)amino]benzoic acid.
What is the SMILES notation for Anthranilic acid, N-(6-(2-aminopyrimidinyl))-?
The canonical SMILES for Anthranilic acid, N-(6-(2-aminopyrimidinyl))- is C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)N.
What is the InChIKey of Anthranilic acid, N-(6-(2-aminopyrimidinyl))-?
The InChIKey is SOJJTFYDOCVXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-11-13-6-5-9(15-11)14-8-4-2-1-3-7(8)10(16)17/h1-6H,(H,16,17)(H3,12,13,14,15).
What are the key properties of Anthranilic acid, N-(6-(2-aminopyrimidinyl))-?
Anthranilic acid, N-(6-(2-aminopyrimidinyl))- has a molecular weight of 230.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Anthranilic acid, N-(6-(2-aminopyrimidinyl))- is sourced from PubChem (CID 35750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).