(2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone

C22H36N4O2 — CID 133409289

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(c3cc(C(C)C)nc(C(C)C)n3)CC2)CC(C)O1
InChIInChI=1S/C22H36N4O2/c1-14(2)19-11-20(24-21(23-19)15(3)4)25-9-7-18(8-10-25)22(27)26-12-16(5)28-17(6)13-26/h11,14-18H,7-10,12-13H2,1-6H3
InChIKeyJLOGTKDMPQCSOW-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.58
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone (PubChem CID 133409289) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
PubChem CID133409289
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(c3cc(C(C)C)nc(C(C)C)n3)CC2)CC(C)O1
InChIInChI=1S/C22H36N4O2/c1-14(2)19-11-20(24-21(23-19)15(3)4)25-9-7-18(8-10-25)22(27)26-12-16(5)28-17(6)13-26/h11,14-18H,7-10,12-13H2,1-6H3
InChIKeyJLOGTKDMPQCSOW-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 97212136
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine
CID 94075362
(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 17447797
2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768578
1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
CID 154838840
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416235
(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122051785
[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 133409488
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 80960978
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 94064055

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone (CID 133409289) is (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone is CC1CN(C(=O)C2CCN(c3cc(C(C)C)nc(C(C)C)n3)CC2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The InChIKey is JLOGTKDMPQCSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-14(2)19-11-20(24-21(23-19)15(3)4)25-9-7-18(8-10-25)22(27)26-12-16(5)28-17(6)13-26/h11,14-18H,7-10,12-13H2,1-6H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone has a molecular weight of 388.56 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 133409289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).