1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone

C17H24N4O4 — CID 109365378

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)OCCO3)cc(N2CCOCC2)n1
InChIInChI=1S/C17H24N4O4/c1-13-18-14(12-15(19-13)20-6-8-23-9-7-20)16(22)21-4-2-17(3-5-21)24-10-11-25-17/h12H,2-11H2,1H3
InChIKeyHUFKTUNQXRLOPF-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.60
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone (PubChem CID 109365378) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
PubChem CID109365378
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)OCCO3)cc(N2CCOCC2)n1
InChIInChI=1S/C17H24N4O4/c1-13-18-14(12-15(19-13)20-6-8-23-9-7-20)16(22)21-4-2-17(3-5-21)24-10-11-25-17/h12H,2-11H2,1H3
InChIKeyHUFKTUNQXRLOPF-UHFFFAOYSA-N
XLogP0.60
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364296
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365513
(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365399
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365554
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365384
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365362
[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538840
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109345888
1-[4-[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109367746
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372936
1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122340897

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone (CID 109365378) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone is Cc1nc(C(=O)N2CCC3(CC2)OCCO3)cc(N2CCOCC2)n1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone?
The InChIKey is HUFKTUNQXRLOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-13-18-14(12-15(19-13)20-6-8-23-9-7-20)16(22)21-4-2-17(3-5-21)24-10-11-25-17/h12H,2-11H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109365378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).