2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide

C14H15N3O2 — CID 110761559

IUPAC2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
SMILESCOc1cc(C)c(C)cc1C(=O)Nc1ncccn1
InChIInChI=1S/C14H15N3O2/c1-9-7-11(12(19-3)8-10(9)2)13(18)17-14-15-5-4-6-16-14/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeyCXGJMLUYWSOISG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.35
Rot. Bonds3

About 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide

2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide (PubChem CID 110761559) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
PubChem CID110761559
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
SMILESCOc1cc(C)c(C)cc1C(=O)Nc1ncccn1
InChIInChI=1S/C14H15N3O2/c1-9-7-11(12(19-3)8-10(9)2)13(18)17-14-15-5-4-6-16-14/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeyCXGJMLUYWSOISG-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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Related Compounds

5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762122
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110762901
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
5-chloro-2-methoxy-4-methyl-N-pyridin-2-ylbenzamide
CID 110762069
5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762158
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165
2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 110763310
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 802722
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide (CID 110761559) is 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide is COc1cc(C)c(C)cc1C(=O)Nc1ncccn1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is CXGJMLUYWSOISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-11(12(19-3)8-10(9)2)13(18)17-14-15-5-4-6-16-14/h4-8H,1-3H3,(H,15,16,17,18).
What are the key properties of 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide?
2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide 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 2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 110761559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).