2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol

C13H22N4O — CID 95817164

IUPAC2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
SMILESCNc1cc(C)nc(C2CCN(CCO)CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-9-12(14-2)16-13(15-10)11-3-5-17(6-4-11)7-8-18/h9,11,18H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyHAZHMHYJMMTYEQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds4

About 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol

2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol (PubChem CID 95817164) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
PubChem CID95817164
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
SMILESCNc1cc(C)nc(C2CCN(CCO)CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-9-12(14-2)16-13(15-10)11-3-5-17(6-4-11)7-8-18/h9,11,18H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyHAZHMHYJMMTYEQ-UHFFFAOYSA-N
XLogP1.00
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol (CID 95817164) is 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol is CNc1cc(C)nc(C2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is HAZHMHYJMMTYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-9-12(14-2)16-13(15-10)11-3-5-17(6-4-11)7-8-18/h9,11,18H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol?
2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 250.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95817164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).