2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

C17H26N4 — CID 118744979

IUPAC2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCCC3(CCN(CC4CCC4)C3)C2)nc1
InChIInChI=1S/C17H26N4/c1-4-15(5-1)12-20-11-7-17(13-20)6-2-10-21(14-17)16-18-8-3-9-19-16/h3,8-9,15H,1-2,4-7,10-14H2
InChIKeyQRAPNJXEBBIZTA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.57
Rot. Bonds3

About 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 118744979) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID118744979
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCCC3(CCN(CC4CCC4)C3)C2)nc1
InChIInChI=1S/C17H26N4/c1-4-15(5-1)12-20-11-7-17(13-20)6-2-10-21(14-17)16-18-8-3-9-19-16/h3,8-9,15H,1-2,4-7,10-14H2
InChIKeyQRAPNJXEBBIZTA-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (CID 118744979) is 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is c1cnc(N2CCCC3(CCN(CC4CCC4)C3)C2)nc1.
What is the InChIKey of 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is QRAPNJXEBBIZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-15(5-1)12-20-11-7-17(13-20)6-2-10-21(14-17)16-18-8-3-9-19-16/h3,8-9,15H,1-2,4-7,10-14H2.
What are the key properties of 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 286.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118744979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).