2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol

C12H20N4O — CID 107229203

IUPAC2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCc1c(N)ncnc1N1CCCC(CCO)C1
InChIInChI=1S/C12H20N4O/c1-9-11(13)14-8-15-12(9)16-5-2-3-10(7-16)4-6-17/h8,10,17H,2-7H2,1H3,(H2,13,14,15)
InChIKeyVPMFSHDZYQTOKF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds3

About 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol

2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 107229203) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID107229203
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCc1c(N)ncnc1N1CCCC(CCO)C1
InChIInChI=1S/C12H20N4O/c1-9-11(13)14-8-15-12(9)16-5-2-3-10(7-16)4-6-17/h8,10,17H,2-7H2,1H3,(H2,13,14,15)
InChIKeyVPMFSHDZYQTOKF-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol (CID 107229203) is 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol is Cc1c(N)ncnc1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is VPMFSHDZYQTOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(13)14-8-15-12(9)16-5-2-3-10(7-16)4-6-17/h8,10,17H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 236.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107229203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).