2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

C17H24N4O — CID 72931128

IUPAC2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(C2CCC2)nc(N2CCC3(CCCNC3=O)C2)n1
InChIInChI=1S/C17H24N4O/c1-12-10-14(13-4-2-5-13)20-16(19-12)21-9-7-17(11-21)6-3-8-18-15(17)22/h10,13H,2-9,11H2,1H3,(H,18,22)
InChIKeyCIRNMEPMHFXJCH-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.16
Rot. Bonds2

About 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72931128) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72931128
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(C2CCC2)nc(N2CCC3(CCCNC3=O)C2)n1
InChIInChI=1S/C17H24N4O/c1-12-10-14(13-4-2-5-13)20-16(19-12)21-9-7-17(11-21)6-3-8-18-15(17)22/h10,13H,2-9,11H2,1H3,(H,18,22)
InChIKeyCIRNMEPMHFXJCH-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid sec-butylamide
CID 645777
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 652382

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72931128) is 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(C2CCC2)nc(N2CCC3(CCCNC3=O)C2)n1.
What is the InChIKey of 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CIRNMEPMHFXJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-10-14(13-4-2-5-13)20-16(19-12)21-9-7-17(11-21)6-3-8-18-15(17)22/h10,13H,2-9,11H2,1H3,(H,18,22).
What are the key properties of 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 300.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72931128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).