2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol

C22H23F2N3O5 — CID 90166269

IUPAC2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol
SMILESCOc1cc(OC)c(F)c(COc2cnc(Nc3ccc(C)c(OCCO)c3)nc2)c1F
InChIInChI=1S/C22H23F2N3O5/c1-13-4-5-14(8-17(13)31-7-6-28)27-22-25-10-15(11-26-22)32-12-16-20(23)18(29-2)9-19(30-3)21(16)24/h4-5,8-11,28H,6-7,12H2,1-3H3,(H,25,26,27)
InChIKeyKUMPOOMYUMSADY-UHFFFAOYSA-N
MW447.44 g/mol
LogP3.77
Rot. Bonds10

About 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol

2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol (PubChem CID 90166269) has the molecular formula C22H23F2N3O5 and a molecular weight of 447.44 g/mol. Its IUPAC name is 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol
PubChem CID90166269
Molecular FormulaC22H23F2N3O5
Molecular Weight447.44 g/mol
Exact Mass447.16
IUPAC Name2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol
SMILESCOc1cc(OC)c(F)c(COc2cnc(Nc3ccc(C)c(OCCO)c3)nc2)c1F
InChIInChI=1S/C22H23F2N3O5/c1-13-4-5-14(8-17(13)31-7-6-28)27-22-25-10-15(11-26-22)32-12-16-20(23)18(29-2)9-19(30-3)21(16)24/h4-5,8-11,28H,6-7,12H2,1-3H3,(H,25,26,27)
InChIKeyKUMPOOMYUMSADY-UHFFFAOYSA-N
XLogP3.77
TPSA94.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol with MolForge

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Related Compounds

4-[4-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-fluorophenoxy]butanoic acid
CID 90166260
2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol
CID 122605388
3-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]benzoic acid
CID 122605515
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[3-methoxy-4-(1-methoxypiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 129175227
N-[4-(2-azaspiro[3.3]heptan-2-yl)-3-methoxyphenyl]-5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-amine
CID 148541129
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methylphenyl]pyrimidin-2-amine
CID 90166023
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[3-methoxy-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]pyrimidin-2-amine
CID 90166187
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine
CID 142722133
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 122605507
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine
CID 90166148
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 122605373
1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one
CID 90163925

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol?
The IUPAC name of 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol (CID 90166269) is 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol.
What is the SMILES notation for 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol?
The canonical SMILES for 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol is COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(C)c(OCCO)c3)nc2)c1F.
What is the InChIKey of 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol?
The InChIKey is KUMPOOMYUMSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O5/c1-13-4-5-14(8-17(13)31-7-6-28)27-22-25-10-15(11-26-22)32-12-16-20(23)18(29-2)9-19(30-3)21(16)24/h4-5,8-11,28H,6-7,12H2,1-3H3,(H,25,26,27).
What are the key properties of 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol?
2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol has a molecular weight of 447.44 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol is sourced from PubChem (CID 90166269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).