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

C14H15N3O2 — CID 966568

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H15N3O2/c1-9-8-10(2)16-14(15-9)17-13(18)11-6-4-5-7-12(11)19-3/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeyBJDXGUYSVLNKDC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.35
Rot. Bonds3

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

N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide (PubChem CID 966568) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide
PubChem CID966568
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H15N3O2/c1-9-8-10(2)16-14(15-9)17-13(18)11-6-4-5-7-12(11)19-3/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeyBJDXGUYSVLNKDC-UHFFFAOYSA-N
XLogP2.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide (CID 966568) is N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide?
The InChIKey is BJDXGUYSVLNKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-8-10(2)16-14(15-9)17-13(18)11-6-4-5-7-12(11)19-3/h4-8H,1-3H3,(H,15,16,17,18).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 966568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).