2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol

C11H20N6O — CID 54585778

IUPAC2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
SMILESCN1CCN(c2cc(N)nc(NCCO)n2)CC1
InChIInChI=1S/C11H20N6O/c1-16-3-5-17(6-4-16)10-8-9(12)14-11(15-10)13-2-7-18/h8,18H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyZUBSFEQQFUFJMC-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.79
Rot. Bonds4

About 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol

2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 54585778) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID54585778
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
SMILESCN1CCN(c2cc(N)nc(NCCO)n2)CC1
InChIInChI=1S/C11H20N6O/c1-16-3-5-17(6-4-16)10-8-9(12)14-11(15-10)13-2-7-18/h8,18H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyZUBSFEQQFUFJMC-UHFFFAOYSA-N
XLogP-0.79
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol (CID 54585778) is 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol is CN1CCN(c2cc(N)nc(NCCO)n2)CC1.
What is the InChIKey of 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is ZUBSFEQQFUFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-16-3-5-17(6-4-16)10-8-9(12)14-11(15-10)13-2-7-18/h8,18H,2-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol?
2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 252.32 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 54585778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).