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

C13H13N3O2 — CID 4258109

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccccc2O)n1
InChIInChI=1S/C13H13N3O2/c1-8-7-9(2)15-13(14-8)16-12(18)10-5-3-4-6-11(10)17/h3-7,17H,1-2H3,(H,14,15,16,18)
InChIKeyLJOJALLMQBUSRC-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.05
Rot. Bonds2

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

N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide (PubChem CID 4258109) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide
PubChem CID4258109
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccccc2O)n1
InChIInChI=1S/C13H13N3O2/c1-8-7-9(2)15-13(14-8)16-12(18)10-5-3-4-6-11(10)17/h3-7,17H,1-2H3,(H,14,15,16,18)
InChIKeyLJOJALLMQBUSRC-UHFFFAOYSA-N
XLogP2.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide (CID 4258109) is N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide is Cc1cc(C)nc(NC(=O)c2ccccc2O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide?
The InChIKey is LJOJALLMQBUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-7-9(2)15-13(14-8)16-12(18)10-5-3-4-6-11(10)17/h3-7,17H,1-2H3,(H,14,15,16,18).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide has a molecular weight of 243.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 4258109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).