7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H28N4O2 — CID 72871091

IUPAC7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)nc(C)n1
InChIInChI=1S/C20H28N4O2/c1-14-11-17(22-15(2)21-14)18(25)24-10-8-20(13-24)7-4-9-23(19(20)26)12-16-5-3-6-16/h11,16H,3-10,12-13H2,1-2H3
InChIKeyBOPHLHCPMKEFMU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.35
Rot. Bonds3

About 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72871091) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72871091
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)nc(C)n1
InChIInChI=1S/C20H28N4O2/c1-14-11-17(22-15(2)21-14)18(25)24-10-8-20(13-24)7-4-9-23(19(20)26)12-16-5-3-6-16/h11,16H,3-10,12-13H2,1-2H3
InChIKeyBOPHLHCPMKEFMU-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72871091) is 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)nc(C)n1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BOPHLHCPMKEFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-11-17(22-15(2)21-14)18(25)24-10-8-20(13-24)7-4-9-23(19(20)26)12-16-5-3-6-16/h11,16H,3-10,12-13H2,1-2H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.47 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72871091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).