methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate

C14H15N3O3 — CID 108778455

IUPACmethyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1O
InChIInChI=1S/C14H15N3O3/c1-8-7-9(2)16-14(15-8)17-11-6-4-5-10(12(11)18)13(19)20-3/h4-7,18H,1-3H3,(H,15,16,17)
InChIKeyDDVFHXYGMUJOND-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.33
Rot. Bonds3

About methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate

methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate (PubChem CID 108778455) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate
PubChem CID108778455
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1O
InChIInChI=1S/C14H15N3O3/c1-8-7-9(2)16-14(15-8)17-11-6-4-5-10(12(11)18)13(19)20-3/h4-7,18H,1-3H3,(H,15,16,17)
InChIKeyDDVFHXYGMUJOND-UHFFFAOYSA-N
XLogP2.33
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]benzoate
CID 110383551
methyl 2-[[4-(3-cyanoanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112931602
methyl 2-[[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112929325
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-hydroxybenzoate
CID 108778109
methyl 2-[[2-(3-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931585
methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate
CID 70821740
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 2-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917001
methyl 2-[[4-[4-(dimethylamino)anilino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112931594
methyl 2-[[2-(2,5-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931164
methyl 2-[[4-(dipropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109334259
methyl 2-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322231

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate (CID 108778455) is methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate is COC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1O.
What is the InChIKey of methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate?
The InChIKey is DDVFHXYGMUJOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-7-9(2)16-14(15-8)17-11-6-4-5-10(12(11)18)13(19)20-3/h4-7,18H,1-3H3,(H,15,16,17).
What are the key properties of methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate?
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate has a molecular weight of 273.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate is sourced from PubChem (CID 108778455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).