N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide

C22H23N3O5 — CID 122303589

IUPACN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-13-19(14(2)24-22(23-13)30-16-9-7-6-8-10-16)25-21(26)15-11-17(27-3)20(29-5)18(12-15)28-4/h6-12H,1-5H3,(H,25,26)
InChIKeyDHONYEBOELHWEL-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.16
Rot. Bonds7

About N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 122303589) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID122303589
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-13-19(14(2)24-22(23-13)30-16-9-7-6-8-10-16)25-21(26)15-11-17(27-3)20(29-5)18(12-15)28-4/h6-12H,1-5H3,(H,25,26)
InChIKeyDHONYEBOELHWEL-UHFFFAOYSA-N
XLogP4.16
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 122303901
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122303779
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-phenoxybenzamide
CID 122302706
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122303609
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122303758
3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302849
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide (CID 122303589) is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc(OC)c1OC.
What is the InChIKey of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is DHONYEBOELHWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-13-19(14(2)24-22(23-13)30-16-9-7-6-8-10-16)25-21(26)15-11-17(27-3)20(29-5)18(12-15)28-4/h6-12H,1-5H3,(H,25,26).
What are the key properties of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide?
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 409.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 122303589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).