4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine

C18H28N8O — CID 31017533

IUPAC4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCC1(C)CN(Cc2cn(C3CCN(c4ccnc(N)n4)CC3)nn2)CCO1
InChIInChI=1S/C18H28N8O/c1-18(2)13-24(9-10-27-18)11-14-12-26(23-22-14)15-4-7-25(8-5-15)16-3-6-20-17(19)21-16/h3,6,12,15H,4-5,7-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyZWCJRJWYOKCYKH-UHFFFAOYSA-N
MW372.48 g/mol
LogP1.10
Rot. Bonds4

About 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine

4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 31017533) has the molecular formula C18H28N8O and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID31017533
Molecular FormulaC18H28N8O
Molecular Weight372.48 g/mol
Exact Mass372.24
IUPAC Name4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCC1(C)CN(Cc2cn(C3CCN(c4ccnc(N)n4)CC3)nn2)CCO1
InChIInChI=1S/C18H28N8O/c1-18(2)13-24(9-10-27-18)11-14-12-26(23-22-14)15-4-7-25(8-5-15)16-3-6-20-17(19)21-16/h3,6,12,15H,4-5,7-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyZWCJRJWYOKCYKH-UHFFFAOYSA-N
XLogP1.10
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine (CID 31017533) is 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine is CC1(C)CN(Cc2cn(C3CCN(c4ccnc(N)n4)CC3)nn2)CCO1.
What is the InChIKey of 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is ZWCJRJWYOKCYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O/c1-18(2)13-24(9-10-27-18)11-14-12-26(23-22-14)15-4-7-25(8-5-15)16-3-6-20-17(19)21-16/h3,6,12,15H,4-5,7-11,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 372.48 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 31017533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).