N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide

C21H21N3O2 — CID 122303609

IUPACN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)c1
InChIInChI=1S/C21H21N3O2/c1-13-10-11-14(2)18(12-13)20(25)24-19-15(3)22-21(23-16(19)4)26-17-8-6-5-7-9-17/h5-12H,1-4H3,(H,24,25)
InChIKeyMZPPJWIVCDDEHP-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.75
Rot. Bonds4

About N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide (PubChem CID 122303609) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
PubChem CID122303609
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)c1
InChIInChI=1S/C21H21N3O2/c1-13-10-11-14(2)18(12-13)20(25)24-19-15(3)22-21(23-16(19)4)26-17-8-6-5-7-9-17/h5-12H,1-4H3,(H,24,25)
InChIKeyMZPPJWIVCDDEHP-UHFFFAOYSA-N
XLogP4.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-phenoxybenzamide
CID 122302706
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122303758
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122303779
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122356474
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
CID 122355854
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
CID 122303902

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide (CID 122303609) is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)c1.
What is the InChIKey of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide?
The InChIKey is MZPPJWIVCDDEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-10-11-14(2)18(12-13)20(25)24-19-15(3)22-21(23-16(19)4)26-17-8-6-5-7-9-17/h5-12H,1-4H3,(H,24,25).
What are the key properties of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide?
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 122303609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).