4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine

C18H15F2N3O2 — CID 95923254

IUPAC4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine
SMILESCOCc1cc(OCc2cc(F)ccc2F)nc(-c2ccncc2)n1
InChIInChI=1S/C18H15F2N3O2/c1-24-11-15-9-17(23-18(22-15)12-4-6-21-7-5-12)25-10-13-8-14(19)2-3-16(13)20/h2-9H,10-11H2,1H3
InChIKeyLNRPTDQVLUQGME-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.54
Rot. Bonds6

About 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine

4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine (PubChem CID 95923254) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine
PubChem CID95923254
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine
SMILESCOCc1cc(OCc2cc(F)ccc2F)nc(-c2ccncc2)n1
InChIInChI=1S/C18H15F2N3O2/c1-24-11-15-9-17(23-18(22-15)12-4-6-21-7-5-12)25-10-13-8-14(19)2-3-16(13)20/h2-9H,10-11H2,1H3
InChIKeyLNRPTDQVLUQGME-UHFFFAOYSA-N
XLogP3.54
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-6-[(3-methylphenyl)methoxy]-2-pyridin-4-ylpyrimidine
CID 95923238
4-[(3,4-difluorophenyl)methoxy]-6-ethyl-2-(4-fluorophenyl)pyrimidine
CID 95922959
2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 55062587
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
4-fluoro-2-(methoxymethyl)pyridine
CID 91185425
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
2-(3-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 82800331
1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767437
2-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62320043
4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine
CID 67464304
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine
CID 95922322

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine (CID 95923254) is 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine is COCc1cc(OCc2cc(F)ccc2F)nc(-c2ccncc2)n1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine?
The InChIKey is LNRPTDQVLUQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-24-11-15-9-17(23-18(22-15)12-4-6-21-7-5-12)25-10-13-8-14(19)2-3-16(13)20/h2-9H,10-11H2,1H3.
What are the key properties of 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine?
4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine has a molecular weight of 343.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methoxy]-6-(methoxymethyl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 95923254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).