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

C17H26N4O3 — CID 109261570

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone
SMILESCCCCCNc1ncc(C(=O)N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C17H26N4O3/c1-2-3-4-7-18-16-19-12-14(13-20-16)15(22)21-8-5-17(6-9-21)23-10-11-24-17/h12-13H,2-11H2,1H3,(H,18,19,20)
InChIKeyHUIAEQRCIKOIHS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.06
Rot. Bonds6

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone (PubChem CID 109261570) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone
PubChem CID109261570
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone
SMILESCCCCCNc1ncc(C(=O)N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C17H26N4O3/c1-2-3-4-7-18-16-19-12-14(13-20-16)15(22)21-8-5-17(6-9-21)23-10-11-24-17/h12-13H,2-11H2,1H3,(H,18,19,20)
InChIKeyHUIAEQRCIKOIHS-UHFFFAOYSA-N
XLogP2.06
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[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
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone
CID 109261574
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109088568
[2-(cyclopropylamino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109247511
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261584
[2-(3-chloroanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261603
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methoxyanilino)pyrimidin-5-yl]methanone
CID 109261611
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]methanone
CID 109261615
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone (CID 109261570) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone is CCCCCNc1ncc(C(=O)N2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone?
The InChIKey is HUIAEQRCIKOIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-3-4-7-18-16-19-12-14(13-20-16)15(22)21-8-5-17(6-9-21)23-10-11-24-17/h12-13H,2-11H2,1H3,(H,18,19,20).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 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-(pentylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109261570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).