2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol

C19H17N5O — CID 176732949

IUPAC2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol
SMILESCc1ncc(-c2cc3nc(-c4c(C)ccc(O)c4C)cnc3[nH]2)cn1
InChIInChI=1S/C19H17N5O/c1-10-4-5-17(25)11(2)18(10)16-9-22-19-15(23-16)6-14(24-19)13-7-20-12(3)21-8-13/h4-9,25H,1-3H3,(H,22,24)
InChIKeyLZLKENFXWYGOMD-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.71
Rot. Bonds2

About 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol

2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol (PubChem CID 176732949) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol
PubChem CID176732949
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol
SMILESCc1ncc(-c2cc3nc(-c4c(C)ccc(O)c4C)cnc3[nH]2)cn1
InChIInChI=1S/C19H17N5O/c1-10-4-5-17(25)11(2)18(10)16-9-22-19-15(23-16)6-14(24-19)13-7-20-12(3)21-8-13/h4-9,25H,1-3H3,(H,22,24)
InChIKeyLZLKENFXWYGOMD-UHFFFAOYSA-N
XLogP3.71
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol?
The IUPAC name of 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol (CID 176732949) is 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol.
What is the SMILES notation for 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol?
The canonical SMILES for 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol is Cc1ncc(-c2cc3nc(-c4c(C)ccc(O)c4C)cnc3[nH]2)cn1.
What is the InChIKey of 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol?
The InChIKey is LZLKENFXWYGOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-10-4-5-17(25)11(2)18(10)16-9-22-19-15(23-16)6-14(24-19)13-7-20-12(3)21-8-13/h4-9,25H,1-3H3,(H,22,24).
What are the key properties of 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol?
2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol has a molecular weight of 331.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[6-(2-methylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenol is sourced from PubChem (CID 176732949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).