1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one

C17H24N4O3 — CID 176683347

IUPAC1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one
SMILESCC(=O)COc1cnc(N2CCC3(CC2)CN(CC(C)=O)C3)nc1
InChIInChI=1S/C17H24N4O3/c1-13(22)9-20-11-17(12-20)3-5-21(6-4-17)16-18-7-15(8-19-16)24-10-14(2)23/h7-8H,3-6,9-12H2,1-2H3
InChIKeyBGUYHKNASNGGFA-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.94
Rot. Bonds6

About 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one

1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one (PubChem CID 176683347) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one
PubChem CID176683347
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one
SMILESCC(=O)COc1cnc(N2CCC3(CC2)CN(CC(C)=O)C3)nc1
InChIInChI=1S/C17H24N4O3/c1-13(22)9-20-11-17(12-20)3-5-21(6-4-17)16-18-7-15(8-19-16)24-10-14(2)23/h7-8H,3-6,9-12H2,1-2H3
InChIKeyBGUYHKNASNGGFA-UHFFFAOYSA-N
XLogP0.94
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one with MolForge

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Related Compounds

ethane;1-[2-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]ethanone;methane
CID 165134657
2-[(5R)-2-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482392
2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482395
9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382150
[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate
CID 175262489
2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70733639
methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane
CID 171070043
tert-butyl N-[(E)-3-fluoro-2-[[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-5-yl]oxymethyl]prop-2-enyl]carbamate
CID 135307353
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
butyl 7-[5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 175834130
1-(8-azaspiro[4.5]decan-8-yl)propan-2-one
CID 63158473
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249

Frequently Asked Questions

What is the IUPAC name of 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one?
The IUPAC name of 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one (CID 176683347) is 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one.
What is the SMILES notation for 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one?
The canonical SMILES for 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one is CC(=O)COc1cnc(N2CCC3(CC2)CN(CC(C)=O)C3)nc1.
What is the InChIKey of 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one?
The InChIKey is BGUYHKNASNGGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13(22)9-20-11-17(12-20)3-5-21(6-4-17)16-18-7-15(8-19-16)24-10-14(2)23/h7-8H,3-6,9-12H2,1-2H3.
What are the key properties of 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one?
1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one has a molecular weight of 332.40 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[5-(2-oxopropoxy)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-2-one is sourced from PubChem (CID 176683347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).