2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol

C19H20N4O4S — CID 45487755

IUPAC2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol
SMILESCOc1cc(-c2csc(-c3ccnc(N4CCOCC4)n3)n2)cc(OC)c1O
InChIInChI=1S/C19H20N4O4S/c1-25-15-9-12(10-16(26-2)17(15)24)14-11-28-18(21-14)13-3-4-20-19(22-13)23-5-7-27-8-6-23/h3-4,9-11,24H,5-8H2,1-2H3
InChIKeyLIXPHSWBUVFNRA-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.83
Rot. Bonds5

About 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol

2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol (PubChem CID 45487755) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol
PubChem CID45487755
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol
SMILESCOc1cc(-c2csc(-c3ccnc(N4CCOCC4)n3)n2)cc(OC)c1O
InChIInChI=1S/C19H20N4O4S/c1-25-15-9-12(10-16(26-2)17(15)24)14-11-28-18(21-14)13-3-4-20-19(22-13)23-5-7-27-8-6-23/h3-4,9-11,24H,5-8H2,1-2H3
InChIKeyLIXPHSWBUVFNRA-UHFFFAOYSA-N
XLogP2.83
TPSA89.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,6-dimethoxy-4-(1-(2-morpholinopyrimidin-4-yl)-1H-imidazol-4-yl)phenol
CID 11997784
4-(1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-imidazol-4-yl)-2,6-dimethoxyphenol
CID 44610775
2,6-dimethoxy-4-(1-(4-morpholinopyrimidin-2-yl)-1H-imidazol-4-yl)phenol
CID 45487749
2-[5-[4-[(4-Aminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-1,3-thiazol-2-yl]-2-methoxyphenoxy]ethanol
CID 60202392
1-[5-[4-[(4-Aminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-1,3-thiazol-2-yl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 117890332
2-Amino-4-(2-hydroxy-4-methoxyphenyl)-5-(2-methyl-4-thiazolyl)pyrimidine
CID 721859
2-(2-Amino-5-(2-methylthiazol-4-yl)pyrimidin-4-yl)-5-methoxy-4-propylphenol
CID 1068819
2,3-Dimethoxy-6-(5-(2-methylthiazol-4-yl)pyrimidin-4-yl)phenol
CID 3770949
2-(2-Amino-5-(2-methylthiazol-4-yl)pyrimidin-4-yl)-4-ethyl-5-methoxyphenol
CID 4664162
2,6-Dimethoxy-4-(6-(2-morpholinopyrimidin-4-yl)pyridin-2-yl)phenol
CID 136180788
2,6-Dimethoxy-4-(4-(2-morpholinopyrimidin-4-yl)thiazol-2-yl)phenol
CID 136180789
2-Prop-2-ynylsulfanyl-4-(1,3-thiazol-2-ylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
CID 155546102

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol (CID 45487755) is 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol is COc1cc(-c2csc(-c3ccnc(N4CCOCC4)n3)n2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol?
The InChIKey is LIXPHSWBUVFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-25-15-9-12(10-16(26-2)17(15)24)14-11-28-18(21-14)13-3-4-20-19(22-13)23-5-7-27-8-6-23/h3-4,9-11,24H,5-8H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol?
2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol has a molecular weight of 400.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 45487755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).