1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine

C19H15ClN4O — CID 118484344

IUPAC1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine
SMILESCc1ncnc(C)c1-c1ccc(Oc2nccn3cccc23)cc1Cl
InChIInChI=1S/C19H15ClN4O/c1-12-18(13(2)23-11-22-12)15-6-5-14(10-16(15)20)25-19-17-4-3-8-24(17)9-7-21-19/h3-11H,1-2H3
InChIKeyZUHWBCKAXVRTSA-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.85
Rot. Bonds3

About 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine

1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine (PubChem CID 118484344) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine
PubChem CID118484344
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine
SMILESCc1ncnc(C)c1-c1ccc(Oc2nccn3cccc23)cc1Cl
InChIInChI=1S/C19H15ClN4O/c1-12-18(13(2)23-11-22-12)15-6-5-14(10-16(15)20)25-19-17-4-3-8-24(17)9-7-21-19/h3-11H,1-2H3
InChIKeyZUHWBCKAXVRTSA-UHFFFAOYSA-N
XLogP4.85
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine (CID 118484344) is 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine is Cc1ncnc(C)c1-c1ccc(Oc2nccn3cccc23)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine?
The InChIKey is ZUHWBCKAXVRTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-18(13(2)23-11-22-12)15-6-5-14(10-16(15)20)25-19-17-4-3-8-24(17)9-7-21-19/h3-11H,1-2H3.
What are the key properties of 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine?
1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine has a molecular weight of 350.81 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 118484344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).