8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one

C16H22N4O — CID 167839927

IUPAC8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C2CC2)cc(N2CCC3(CCNC3=O)CC2)n1
InChIInChI=1S/C16H22N4O/c1-11-18-13(12-2-3-12)10-14(19-11)20-8-5-16(6-9-20)4-7-17-15(16)21/h10,12H,2-9H2,1H3,(H,17,21)
InChIKeyRWTKGGUPUZNWOJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.77
Rot. Bonds2

About 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one

8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 167839927) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID167839927
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C2CC2)cc(N2CCC3(CCNC3=O)CC2)n1
InChIInChI=1S/C16H22N4O/c1-11-18-13(12-2-3-12)10-14(19-11)20-8-5-16(6-9-20)4-7-17-15(16)21/h10,12H,2-9H2,1H3,(H,17,21)
InChIKeyRWTKGGUPUZNWOJ-UHFFFAOYSA-N
XLogP1.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine
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1-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidin-4-yl]azepane
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(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95204087
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152
1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
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CID 95897837
1-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 126446357
4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 163344168
5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride
CID 171687283
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 167839927) is 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1nc(C2CC2)cc(N2CCC3(CCNC3=O)CC2)n1.
What is the InChIKey of 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is RWTKGGUPUZNWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-18-13(12-2-3-12)10-14(19-11)20-8-5-16(6-9-20)4-7-17-15(16)21/h10,12H,2-9H2,1H3,(H,17,21).
What are the key properties of 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 286.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 167839927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).