3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide

C27H24N4O5 — CID 57095252

IUPAC3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(OC2=NC(Oc3cc(C#N)ccc3Oc3ccccc3)=NCC2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C27H24N4O5/c1-31(2)26(32)19-14-21(33-3)16-22(15-19)35-25-11-12-29-27(30-25)36-24-13-18(17-28)9-10-23(24)34-20-7-5-4-6-8-20/h4-10,13-16H,11-12H2,1-3H3
InChIKeyYVFVHYXUOXTDBB-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.68
Rot. Bonds6

About 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide

3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide (PubChem CID 57095252) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide
PubChem CID57095252
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Name3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(OC2=NC(Oc3cc(C#N)ccc3Oc3ccccc3)=NCC2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C27H24N4O5/c1-31(2)26(32)19-14-21(33-3)16-22(15-19)35-25-11-12-29-27(30-25)36-24-13-18(17-28)9-10-23(24)34-20-7-5-4-6-8-20/h4-10,13-16H,11-12H2,1-3H3
InChIKeyYVFVHYXUOXTDBB-UHFFFAOYSA-N
XLogP4.68
TPSA105.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-cyano-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4,5-dihydropyrimidin-6-yl]oxy]benzoic acid
CID 57266213
4-(dimethylamino)-3-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4,5-dihydropyrimidin-6-yl]oxy]benzonitrile
CID 57231528
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
tert-butyl 4-cyano-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4,5-dihydropyrimidin-6-yl]oxy]benzoate
CID 57017056
3-[6-(benzylamino)-2-(5-cyano-2-phenoxyphenoxy)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide
CID 18916797
4-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103566581
3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
CID 103566591
2-[1-amino-2-(5-cyano-2-methoxyphenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxyphenoxy]-5-nitro-2H-pyrimidin-4-yl]-3-methylpentanoic acid
CID 151170909
3-cyano-N-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 99829830
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
4-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxylic acid
CID 43325992
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide (CID 57095252) is 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide is COc1cc(OC2=NC(Oc3cc(C#N)ccc3Oc3ccccc3)=NCC2)cc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide?
The InChIKey is YVFVHYXUOXTDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-31(2)26(32)19-14-21(33-3)16-22(15-19)35-25-11-12-29-27(30-25)36-24-13-18(17-28)9-10-23(24)34-20-7-5-4-6-8-20/h4-10,13-16H,11-12H2,1-3H3.
What are the key properties of 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide?
3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide has a molecular weight of 484.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-cyano-2-phenoxyphenoxy)-4,5-dihydropyrimidin-6-yl]oxy]-5-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 57095252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).