[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol

C16H20N4O — CID 59484860

IUPAC[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol
SMILESCN1CCN(c2cnc(-c3cccc(CO)c3)nc2)CC1
InChIInChI=1S/C16H20N4O/c1-19-5-7-20(8-6-19)15-10-17-16(18-11-15)14-4-2-3-13(9-14)12-21/h2-4,9-11,21H,5-8,12H2,1H3
InChIKeyZOAXKJNXNSGLHF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.39
Rot. Bonds3

About [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol

[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol (PubChem CID 59484860) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol
PubChem CID59484860
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol
SMILESCN1CCN(c2cnc(-c3cccc(CO)c3)nc2)CC1
InChIInChI=1S/C16H20N4O/c1-19-5-7-20(8-6-19)15-10-17-16(18-11-15)14-4-2-3-13(9-14)12-21/h2-4,9-11,21H,5-8,12H2,1H3
InChIKeyZOAXKJNXNSGLHF-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol (CID 59484860) is [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol is CN1CCN(c2cnc(-c3cccc(CO)c3)nc2)CC1.
What is the InChIKey of [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol?
The InChIKey is ZOAXKJNXNSGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-5-7-20(8-6-19)15-10-17-16(18-11-15)14-4-2-3-13(9-14)12-21/h2-4,9-11,21H,5-8,12H2,1H3.
What are the key properties of [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol?
[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol has a molecular weight of 284.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 59484860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).