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

C14H15N3O — CID 110763140

IUPAC2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ncccn2)cc1C
InChIInChI=1S/C14H15N3O/c1-9-7-11(3)12(8-10(9)2)13(18)17-14-15-5-4-6-16-14/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeyNSVICVIDCWYVSF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.65
Rot. Bonds2

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

2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide (PubChem CID 110763140) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
PubChem CID110763140
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ncccn2)cc1C
InChIInChI=1S/C14H15N3O/c1-9-7-11(3)12(8-10(9)2)13(18)17-14-15-5-4-6-16-14/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeyNSVICVIDCWYVSF-UHFFFAOYSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762122
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110762901
5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762158
4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 21109041
3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
CID 24691828
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
CID 114052523
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide (CID 110763140) is 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide is Cc1cc(C)c(C(=O)Nc2ncccn2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is NSVICVIDCWYVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-7-11(3)12(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 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide?
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 241.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 110763140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).