2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine

C18H19FN4O3S — CID 88950557

IUPAC2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(COc3nccc(N)n3)c(C)s2)cc1OCCF
InChIInChI=1S/C18H19FN4O3S/c1-11-13(10-26-18-21-7-5-16(20)23-18)22-17(27-11)12-3-4-14(24-2)15(9-12)25-8-6-19/h3-5,7,9H,6,8,10H2,1-2H3,(H2,20,21,23)
InChIKeyOIYZPCVKCWHFCD-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.43
Rot. Bonds8

About 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine

2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine (PubChem CID 88950557) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine
PubChem CID88950557
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(COc3nccc(N)n3)c(C)s2)cc1OCCF
InChIInChI=1S/C18H19FN4O3S/c1-11-13(10-26-18-21-7-5-16(20)23-18)22-17(27-11)12-3-4-14(24-2)15(9-12)25-8-6-19/h3-5,7,9H,6,8,10H2,1-2H3,(H2,20,21,23)
InChIKeyOIYZPCVKCWHFCD-UHFFFAOYSA-N
XLogP3.43
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenoxy)ethan-1-Ol
CID 60202391
2,2'-((4-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-1,2-Phenylene)bis(Oxy))bis(Ethan-1-Ol)
CID 60202413
1-[5-(4-{[(4,6-Diaminopyrimidin-2-Yl)sulfanyl]methyl}-5-Propyl-1,3-Thiazol-2-Yl)-2-Methoxyphenoxy]-2-Methylpropan-2-Ol
CID 71710912
N-{2-[5-(4-{[(4,6-Diaminopyrimidin-2-Yl)sulfanyl]methyl}-5-Propyl-1,3-Thiazol-2-Yl)-2-Methoxyphenoxy]ethyl}methanesulfonamide
CID 73167565
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Methyl-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 60194750
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Propyl-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 60202621
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 72706086
2-[({5-Ethyl-2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 72706087
N-(2-(3-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)phenoxy)ethyl)methanesulfonamide
CID 73292701
1-(5-(4-(((2,6-Diaminopyrimidin-4-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenoxy)-2-Methylpropan-2-Ol
CID 86223070
N-{2-[5-(4-{(1r)-1-[(4,6-Diaminopyrimidin-2-Yl)sulfanyl]ethyl}-5-Methyl-1,3-Thiazol-2-Yl)-2-Methoxyphenoxy]ethyl}methanesulfonamide
CID 86223073

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine?
The IUPAC name of 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine (CID 88950557) is 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine is COc1ccc(-c2nc(COc3nccc(N)n3)c(C)s2)cc1OCCF.
What is the InChIKey of 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine?
The InChIKey is OIYZPCVKCWHFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-11-13(10-26-18-21-7-5-16(20)23-18)22-17(27-11)12-3-4-14(24-2)15(9-12)25-8-6-19/h3-5,7,9H,6,8,10H2,1-2H3,(H2,20,21,23).
What are the key properties of 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine?
2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine has a molecular weight of 390.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 88950557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).