8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one

C14H20N4O2 — CID 131651352

IUPAC8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCOc1cc(N2CCCC3(CCCC(=O)N3)C2)ncn1
InChIInChI=1S/C14H20N4O2/c1-20-13-8-11(15-10-16-13)18-7-3-6-14(9-18)5-2-4-12(19)17-14/h8,10H,2-7,9H2,1H3,(H,17,19)
InChIKeyJHLJRPIIBPLOLJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.12
Rot. Bonds2

About 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one

8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 131651352) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID131651352
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCOc1cc(N2CCCC3(CCCC(=O)N3)C2)ncn1
InChIInChI=1S/C14H20N4O2/c1-20-13-8-11(15-10-16-13)18-7-3-6-14(9-18)5-2-4-12(19)17-14/h8,10H,2-7,9H2,1H3,(H,17,19)
InChIKeyJHLJRPIIBPLOLJ-UHFFFAOYSA-N
XLogP1.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 72709190
(4aS*,8aR*)-6-(2-amino-6-methoxypyrimidin-4-yl)-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56885277
(6R)-2-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96399302
(6S)-4-(2,6-dimethoxypyrimidin-4-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97207038
(4aR,8aS)-1-(3-hydroxypropyl)-6-(6-methoxypyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164632028
4-Fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
CID 168867311
N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75440006
8-(6-Methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869158
8-(6-Methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869542
N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 167860606
N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171328398
1-(4,4-Difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethan-1-one
CID 171993027

Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one (CID 131651352) is 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one is COc1cc(N2CCCC3(CCCC(=O)N3)C2)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is JHLJRPIIBPLOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-13-8-11(15-10-16-13)18-7-3-6-14(9-18)5-2-4-12(19)17-14/h8,10H,2-7,9H2,1H3,(H,17,19).
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one?
8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 131651352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).