9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane

C19H30N4O — CID 45229858

IUPAC9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1
InChIInChI=1S/C19H30N4O/c1-24-18-20-10-17(11-21-18)13-23-9-7-19(15-23)6-3-8-22(14-19)12-16-4-2-5-16/h10-11,16H,2-9,12-15H2,1H3
InChIKeyLIIRNGFJNGEAAC-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.57
Rot. Bonds5

About 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane

9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45229858) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45229858
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1
InChIInChI=1S/C19H30N4O/c1-24-18-20-10-17(11-21-18)13-23-9-7-19(15-23)6-3-8-22(14-19)12-16-4-2-5-16/h10-11,16H,2-9,12-15H2,1H3
InChIKeyLIIRNGFJNGEAAC-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 45229858) is 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane is COc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1.
What is the InChIKey of 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is LIIRNGFJNGEAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-24-18-20-10-17(11-21-18)13-23-9-7-19(15-23)6-3-8-22(14-19)12-16-4-2-5-16/h10-11,16H,2-9,12-15H2,1H3.
What are the key properties of 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 330.48 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45229858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).