4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide

C15H17N3O2 — CID 110762901

IUPAC4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
SMILESCOc1c(C)cc(C(=O)Nc2ncccn2)c(C)c1C
InChIInChI=1S/C15H17N3O2/c1-9-8-12(10(2)11(3)13(9)20-4)14(19)18-15-16-6-5-7-17-15/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyDIDAAQKTOFGJIL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds3

About 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide

4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide (PubChem CID 110762901) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
PubChem CID110762901
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
SMILESCOc1c(C)cc(C(=O)Nc2ncccn2)c(C)c1C
InChIInChI=1S/C15H17N3O2/c1-9-8-12(10(2)11(3)13(9)20-4)14(19)18-15-16-6-5-7-17-15/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyDIDAAQKTOFGJIL-UHFFFAOYSA-N
XLogP2.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
4-methoxy-N',2,3,5-tetramethylbenzohydrazide
CID 116846887
5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762122
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165
2-(4-methoxy-2,3,5-trimethylphenyl)-2-oxoacetic acid
CID 82286864
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide (CID 110762901) is 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide is COc1c(C)cc(C(=O)Nc2ncccn2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is DIDAAQKTOFGJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-8-12(10(2)11(3)13(9)20-4)14(19)18-15-16-6-5-7-17-15/h5-8H,1-4H3,(H,16,17,18,19).
What are the key properties of 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide?
4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 110762901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).