1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

C16H26N4O — CID 97493602

IUPAC1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCOCCCN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C16H26N4O/c1-21-14-4-11-20-10-2-5-16(20)6-12-19(13-7-16)15-17-8-3-9-18-15/h3,8-9H,2,4-7,10-14H2,1H3
InChIKeyCSVBKHRXLQGMEM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.95
Rot. Bonds5

About 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 97493602) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID97493602
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCOCCCN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C16H26N4O/c1-21-14-4-11-20-10-2-5-16(20)6-12-19(13-7-16)15-17-8-3-9-18-15/h3,8-9H,2,4-7,10-14H2,1H3
InChIKeyCSVBKHRXLQGMEM-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 97493602) is 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is COCCCN1CCCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is CSVBKHRXLQGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-21-14-4-11-20-10-2-5-16(20)6-12-19(13-7-16)15-17-8-3-9-18-15/h3,8-9H,2,4-7,10-14H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 290.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97493602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).