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

C13H13N3O5 — CID 107689719

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
SMILESCOc1cc(OC)nc(NC(=O)c2c(O)cccc2O)n1
InChIInChI=1S/C13H13N3O5/c1-20-9-6-10(21-2)15-13(14-9)16-12(19)11-7(17)4-3-5-8(11)18/h3-6,17-18H,1-2H3,(H,14,15,16,19)
InChIKeyIWRWRRWTMJLULC-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.16
Rot. Bonds4

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

N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide (PubChem CID 107689719) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
PubChem CID107689719
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
SMILESCOc1cc(OC)nc(NC(=O)c2c(O)cccc2O)n1
InChIInChI=1S/C13H13N3O5/c1-20-9-6-10(21-2)15-13(14-9)16-12(19)11-7(17)4-3-5-8(11)18/h3-6,17-18H,1-2H3,(H,14,15,16,19)
InChIKeyIWRWRRWTMJLULC-UHFFFAOYSA-N
XLogP1.16
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide
CID 107625756
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
2-hydroxy-5-methoxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600817
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide (CID 107689719) is N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide is COc1cc(OC)nc(NC(=O)c2c(O)cccc2O)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide?
The InChIKey is IWRWRRWTMJLULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-20-9-6-10(21-2)15-13(14-9)16-12(19)11-7(17)4-3-5-8(11)18/h3-6,17-18H,1-2H3,(H,14,15,16,19).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide?
N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide has a molecular weight of 291.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107689719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).