[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C17H27N5O2 — CID 56808656

IUPAC[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)nc(N)n1
InChIInChI=1S/C17H27N5O2/c1-11-8-15(20-17(18)19-11)21-6-4-14(5-7-21)16(23)22-9-12(2)24-13(3)10-22/h8,12-14H,4-7,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyXDRGDJOUZUZFKP-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.22
Rot. Bonds2

About [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 56808656) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID56808656
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)nc(N)n1
InChIInChI=1S/C17H27N5O2/c1-11-8-15(20-17(18)19-11)21-6-4-14(5-7-21)16(23)22-9-12(2)24-13(3)10-22/h8,12-14H,4-7,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyXDRGDJOUZUZFKP-UHFFFAOYSA-N
XLogP1.22
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 56808656) is [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is Cc1cc(N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)nc(N)n1.
What is the InChIKey of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is XDRGDJOUZUZFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11-8-15(20-17(18)19-11)21-6-4-14(5-7-21)16(23)22-9-12(2)24-13(3)10-22/h8,12-14H,4-7,9-10H2,1-3H3,(H2,18,19,20).
What are the key properties of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 56808656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).