2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol

C14H24N6O — CID 80750815

IUPAC2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
SMILESNc1nc(N2CCCC2)nc(N2CCCCC2CCO)n1
InChIInChI=1S/C14H24N6O/c15-12-16-13(19-7-3-4-8-19)18-14(17-12)20-9-2-1-5-11(20)6-10-21/h11,21H,1-10H2,(H2,15,16,17,18)
InChIKeyRTPAVHWRQWYCBW-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.80
Rot. Bonds4

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

2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol (PubChem CID 80750815) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
PubChem CID80750815
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
SMILESNc1nc(N2CCCC2)nc(N2CCCCC2CCO)n1
InChIInChI=1S/C14H24N6O/c15-12-16-13(19-7-3-4-8-19)18-14(17-12)20-9-2-1-5-11(20)6-10-21/h11,21H,1-10H2,(H2,15,16,17,18)
InChIKeyRTPAVHWRQWYCBW-UHFFFAOYSA-N
XLogP0.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol (CID 80750815) is 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol is Nc1nc(N2CCCC2)nc(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol?
The InChIKey is RTPAVHWRQWYCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c15-12-16-13(19-7-3-4-8-19)18-14(17-12)20-9-2-1-5-11(20)6-10-21/h11,21H,1-10H2,(H2,15,16,17,18).
What are the key properties of 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol?
2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol has a molecular weight of 292.39 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 80750815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).