2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile

C20H18N4O4 — CID 146025849

IUPAC2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)c1C#N
InChIInChI=1S/C20H18N4O4/c1-11-9-13(28-19-15(10-21)16(27-4)7-8-22-19)5-6-14(11)17-12(2)18(25)23-20(26)24(17)3/h5-9H,1-4H3,(H,23,25,26)
InChIKeyNJOYCZFCURPNOE-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.43
Rot. Bonds4

About 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile

2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile (PubChem CID 146025849) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile
PubChem CID146025849
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)c1C#N
InChIInChI=1S/C20H18N4O4/c1-11-9-13(28-19-15(10-21)16(27-4)7-8-22-19)5-6-14(11)17-12(2)18(25)23-20(26)24(17)3/h5-9H,1-4H3,(H,23,25,26)
InChIKeyNJOYCZFCURPNOE-UHFFFAOYSA-N
XLogP2.43
TPSA110.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
CID 86764101
6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
CID 123178732
6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
CID 118231107
2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile
CID 1484341
4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride
CID 3527834
1,5-diethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)pyrimidine-2,4-dione
CID 146025845
4-[4-[[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
CID 86764214
1,5-dimethyl-6-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione
CID 155095755
anisole;but-2-yne;1-chloroisoquinoline;3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione;3-[(3,4-dimethoxyphenyl)methyl]-6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione;heptadeca-1,3,5,7,9,11,13,15-octayne;6-(4-isoquinolin-1-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione;methane;2,2,2-trifluoroacetic acid
CID 158204003
3-ethyl-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione
CID 146025836
1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one
CID 118478132
3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 60725799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile (CID 146025849) is 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile is COc1ccnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)c1C#N.
What is the InChIKey of 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile?
The InChIKey is NJOYCZFCURPNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-11-9-13(28-19-15(10-21)16(27-4)7-8-22-19)5-6-14(11)17-12(2)18(25)23-20(26)24(17)3/h5-9H,1-4H3,(H,23,25,26).
What are the key properties of 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile?
2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile has a molecular weight of 378.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 146025849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).