[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol

C12H20N4O — CID 83183922

IUPAC[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCCN1CCN(c2ncc(CO)c(C)n2)CC1
InChIInChI=1S/C12H20N4O/c1-3-15-4-6-16(7-5-15)12-13-8-11(9-17)10(2)14-12/h8,17H,3-7,9H2,1-2H3
InChIKeyBANAETGNJIRECF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.42
Rot. Bonds3

About [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol

[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83183922) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
PubChem CID83183922
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCCN1CCN(c2ncc(CO)c(C)n2)CC1
InChIInChI=1S/C12H20N4O/c1-3-15-4-6-16(7-5-15)12-13-8-11(9-17)10(2)14-12/h8,17H,3-7,9H2,1-2H3
InChIKeyBANAETGNJIRECF-UHFFFAOYSA-N
XLogP0.42
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol (CID 83183922) is [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol is CCN1CCN(c2ncc(CO)c(C)n2)CC1.
What is the InChIKey of [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is BANAETGNJIRECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-15-4-6-16(7-5-15)12-13-8-11(9-17)10(2)14-12/h8,17H,3-7,9H2,1-2H3.
What are the key properties of [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol?
[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 236.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83183922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).