N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide

C13H13N3O3 — CID 107688990

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
SMILESCc1cc(C)nc(NC(=O)c2c(O)cccc2O)n1
InChIInChI=1S/C13H13N3O3/c1-7-6-8(2)15-13(14-7)16-12(19)11-9(17)4-3-5-10(11)18/h3-6,17-18H,1-2H3,(H,14,15,16,19)
InChIKeySPBCWNNZBYFQEO-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.76
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide

N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide (PubChem CID 107688990) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
PubChem CID107688990
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
SMILESCc1cc(C)nc(NC(=O)c2c(O)cccc2O)n1
InChIInChI=1S/C13H13N3O3/c1-7-6-8(2)15-13(14-7)16-12(19)11-9(17)4-3-5-10(11)18/h3-6,17-18H,1-2H3,(H,14,15,16,19)
InChIKeySPBCWNNZBYFQEO-UHFFFAOYSA-N
XLogP1.76
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide (CID 107688990) is N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide is Cc1cc(C)nc(NC(=O)c2c(O)cccc2O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide?
The InChIKey is SPBCWNNZBYFQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7-6-8(2)15-13(14-7)16-12(19)11-9(17)4-3-5-10(11)18/h3-6,17-18H,1-2H3,(H,14,15,16,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide has a molecular weight of 259.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107688990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).