2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol

C17H20F2N2O2 — CID 95923069

IUPAC2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol
SMILESCc1nc(C(C)C)nc(OCc2cc(F)ccc2F)c1CCO
InChIInChI=1S/C17H20F2N2O2/c1-10(2)16-20-11(3)14(6-7-22)17(21-16)23-9-12-8-13(18)4-5-15(12)19/h4-5,8,10,22H,6-7,9H2,1-3H3
InChIKeyMPGPLTIJNZGVDR-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.30
Rot. Bonds6

About 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol

2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol (PubChem CID 95923069) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol
PubChem CID95923069
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol
SMILESCc1nc(C(C)C)nc(OCc2cc(F)ccc2F)c1CCO
InChIInChI=1S/C17H20F2N2O2/c1-10(2)16-20-11(3)14(6-7-22)17(21-16)23-9-12-8-13(18)4-5-15(12)19/h4-5,8,10,22H,6-7,9H2,1-3H3
InChIKeyMPGPLTIJNZGVDR-UHFFFAOYSA-N
XLogP3.30
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol?
The IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol (CID 95923069) is 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol is Cc1nc(C(C)C)nc(OCc2cc(F)ccc2F)c1CCO.
What is the InChIKey of 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol?
The InChIKey is MPGPLTIJNZGVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-10(2)16-20-11(3)14(6-7-22)17(21-16)23-9-12-8-13(18)4-5-15(12)19/h4-5,8,10,22H,6-7,9H2,1-3H3.
What are the key properties of 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol?
2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol has a molecular weight of 322.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-difluorophenyl)methoxy]-6-methyl-2-propan-2-ylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 95923069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).