5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine

C13H12F2N2O3 — CID 141433703

IUPAC5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine
SMILESCOc1cc(OC)c(F)c(COc2cncnc2)c1F
InChIInChI=1S/C13H12F2N2O3/c1-18-10-3-11(19-2)13(15)9(12(10)14)6-20-8-4-16-7-17-5-8/h3-5,7H,6H2,1-2H3
InChIKeyASJQOAFPRHBZNS-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.35
Rot. Bonds5

About 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine (PubChem CID 141433703) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine
PubChem CID141433703
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine
SMILESCOc1cc(OC)c(F)c(COc2cncnc2)c1F
InChIInChI=1S/C13H12F2N2O3/c1-18-10-3-11(19-2)13(15)9(12(10)14)6-20-8-4-16-7-17-5-8/h3-5,7H,6H2,1-2H3
InChIKeyASJQOAFPRHBZNS-UHFFFAOYSA-N
XLogP2.35
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine
CID 122604606
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1H-pyrazol-5-yl)pyrimidin-2-amine
CID 142722133
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine
CID 145168801
5-[(3,5-difluorophenyl)methoxy]pyrimidine
CID 175928368
2-[5-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenoxy]ethanol
CID 90166269
tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate
CID 155746482
4-[4-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-2-fluorophenoxy]butanoic acid
CID 90166260
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine
CID 90166148
ethyl 2-[[3-amino-2-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]prop-2-enylidene]amino]acetate
CID 147828135
3-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]benzoic acid
CID 122605515
2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine
CID 90166295
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine?
The IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine (CID 141433703) is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine.
What is the SMILES notation for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine?
The canonical SMILES for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine is COc1cc(OC)c(F)c(COc2cncnc2)c1F.
What is the InChIKey of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine?
The InChIKey is ASJQOAFPRHBZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c1-18-10-3-11(19-2)13(15)9(12(10)14)6-20-8-4-16-7-17-5-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine?
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine has a molecular weight of 282.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine is sourced from PubChem (CID 141433703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).