2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol

C12H20N4O — CID 71113006

IUPAC2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol
SMILESCc1cc(N)nc(C2CCN(CCO)CC2)n1
InChIInChI=1S/C12H20N4O/c1-9-8-11(13)15-12(14-9)10-2-4-16(5-3-10)6-7-17/h8,10,17H,2-7H2,1H3,(H2,13,14,15)
InChIKeyWLXYTRFPYXMCSW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.54
Rot. Bonds3

About 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol

2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol (PubChem CID 71113006) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol
PubChem CID71113006
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol
SMILESCc1cc(N)nc(C2CCN(CCO)CC2)n1
InChIInChI=1S/C12H20N4O/c1-9-8-11(13)15-12(14-9)10-2-4-16(5-3-10)6-7-17/h8,10,17H,2-7H2,1H3,(H2,13,14,15)
InChIKeyWLXYTRFPYXMCSW-UHFFFAOYSA-N
XLogP0.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol (CID 71113006) is 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol is Cc1cc(N)nc(C2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol?
The InChIKey is WLXYTRFPYXMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-8-11(13)15-12(14-9)10-2-4-16(5-3-10)6-7-17/h8,10,17H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol?
2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol has a molecular weight of 236.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 71113006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).