5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide

C14H14ClN3O2 — CID 884726

IUPAC5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-6-9(2)17-14(16-8)18-13(19)11-7-10(15)4-5-12(11)20-3/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyNAVBDZFXQFMHTF-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.01
Rot. Bonds3

About 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide

5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide (PubChem CID 884726) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide
PubChem CID884726
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-6-9(2)17-14(16-8)18-13(19)11-7-10(15)4-5-12(11)20-3/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyNAVBDZFXQFMHTF-UHFFFAOYSA-N
XLogP3.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide (CID 884726) is 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide?
The InChIKey is NAVBDZFXQFMHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-6-9(2)17-14(16-8)18-13(19)11-7-10(15)4-5-12(11)20-3/h4-7H,1-3H3,(H,16,17,18,19).
What are the key properties of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide?
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide has a molecular weight of 291.74 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 884726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).