1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone

C18H28N4O3 — CID 109261574

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone
SMILESCCCN(CCC)c1ncc(C(=O)N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C18H28N4O3/c1-3-7-22(8-4-2)17-19-13-15(14-20-17)16(23)21-9-5-18(6-10-21)24-11-12-25-18/h13-14H,3-12H2,1-2H3
InChIKeyGHQOKMVMYFJECC-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.08
Rot. Bonds6

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone (PubChem CID 109261574) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone
PubChem CID109261574
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone
SMILESCCCN(CCC)c1ncc(C(=O)N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C18H28N4O3/c1-3-7-22(8-4-2)17-19-13-15(14-20-17)16(23)21-9-5-18(6-10-21)24-11-12-25-18/h13-14H,3-12H2,1-2H3
InChIKeyGHQOKMVMYFJECC-UHFFFAOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone
CID 109261570
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607
[2-(cyclopropylamino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109247511
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261596
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylanilino)pyrimidin-5-yl]methanone
CID 109261590
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2-ethylanilino)pyrimidin-5-yl]methanone
CID 109261589
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
CID 109088569
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
[5-[butyl(methyl)amino]pyrazin-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109285959
2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20942936
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone (CID 109261574) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone is CCCN(CCC)c1ncc(C(=O)N2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone?
The InChIKey is GHQOKMVMYFJECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-7-22(8-4-2)17-19-13-15(14-20-17)16(23)21-9-5-18(6-10-21)24-11-12-25-18/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109261574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).