2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

C16H25N7O2 — CID 50959441

IUPAC2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESCC(C)c1noc(C2CCN(c3cc(NCCO)nc(N)n3)CC2)n1
InChIInChI=1S/C16H25N7O2/c1-10(2)14-21-15(25-22-14)11-3-6-23(7-4-11)13-9-12(18-5-8-24)19-16(17)20-13/h9-11,24H,3-8H2,1-2H3,(H3,17,18,19,20)
InChIKeyQGPMZWNZFGQUFN-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.35
Rot. Bonds6

About 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 50959441) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID50959441
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Name2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESCC(C)c1noc(C2CCN(c3cc(NCCO)nc(N)n3)CC2)n1
InChIInChI=1S/C16H25N7O2/c1-10(2)14-21-15(25-22-14)11-3-6-23(7-4-11)13-9-12(18-5-8-24)19-16(17)20-13/h9-11,24H,3-8H2,1-2H3,(H3,17,18,19,20)
InChIKeyQGPMZWNZFGQUFN-UHFFFAOYSA-N
XLogP1.35
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (CID 50959441) is 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is CC(C)c1noc(C2CCN(c3cc(NCCO)nc(N)n3)CC2)n1.
What is the InChIKey of 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is QGPMZWNZFGQUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-10(2)14-21-15(25-22-14)11-3-6-23(7-4-11)13-9-12(18-5-8-24)19-16(17)20-13/h9-11,24H,3-8H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 347.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 50959441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).