1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine

C19H14F2N4O — CID 118488443

IUPAC1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine
SMILESCc1ncnc(C)c1-c1cc(F)c(Oc2nccn3cccc23)cc1F
InChIInChI=1S/C19H14F2N4O/c1-11-18(12(2)24-10-23-11)13-8-15(21)17(9-14(13)20)26-19-16-4-3-6-25(16)7-5-22-19/h3-10H,1-2H3
InChIKeyRVJIPBMQTBOWPX-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.48
Rot. Bonds3

About 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine

1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine (PubChem CID 118488443) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine
PubChem CID118488443
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine
SMILESCc1ncnc(C)c1-c1cc(F)c(Oc2nccn3cccc23)cc1F
InChIInChI=1S/C19H14F2N4O/c1-11-18(12(2)24-10-23-11)13-8-15(21)17(9-14(13)20)26-19-16-4-3-6-25(16)7-5-22-19/h3-10H,1-2H3
InChIKeyRVJIPBMQTBOWPX-UHFFFAOYSA-N
XLogP4.48
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine (CID 118488443) is 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine is Cc1ncnc(C)c1-c1cc(F)c(Oc2nccn3cccc23)cc1F.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine?
The InChIKey is RVJIPBMQTBOWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-11-18(12(2)24-10-23-11)13-8-15(21)17(9-14(13)20)26-19-16-4-3-6-25(16)7-5-22-19/h3-10H,1-2H3.
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine?
1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine has a molecular weight of 352.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 118488443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).