2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol

C17H22N4O — CID 747896

IUPAC2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol
SMILESCCN1CCN(c2cc(C)nc(-c3ccccc3O)n2)CC1
InChIInChI=1S/C17H22N4O/c1-3-20-8-10-21(11-9-20)16-12-13(2)18-17(19-16)14-6-4-5-7-15(14)22/h4-7,12,22H,3,8-11H2,1-2H3
InChIKeyMGSJXGCYYCQJCJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.30
Rot. Bonds3

About 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol

2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol (PubChem CID 747896) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol
PubChem CID747896
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol
SMILESCCN1CCN(c2cc(C)nc(-c3ccccc3O)n2)CC1
InChIInChI=1S/C17H22N4O/c1-3-20-8-10-21(11-9-20)16-12-13(2)18-17(19-16)14-6-4-5-7-15(14)22/h4-7,12,22H,3,8-11H2,1-2H3
InChIKeyMGSJXGCYYCQJCJ-UHFFFAOYSA-N
XLogP2.30
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol (CID 747896) is 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol is CCN1CCN(c2cc(C)nc(-c3ccccc3O)n2)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is MGSJXGCYYCQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-20-8-10-21(11-9-20)16-12-13(2)18-17(19-16)14-6-4-5-7-15(14)22/h4-7,12,22H,3,8-11H2,1-2H3.
What are the key properties of 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol?
2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 298.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 747896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).