6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione

C19H28N4O3 — CID 70749258

IUPAC6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)CN1C1CCCC1
InChIInChI=1S/C19H28N4O3/c24-16-11-14(20-18(26)21-16)12-22-9-7-19(8-10-22)6-5-17(25)23(13-19)15-3-1-2-4-15/h11,15H,1-10,12-13H2,(H2,20,21,24,26)
InChIKeyVONYMKMTEUOTDU-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.21
Rot. Bonds3

About 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione

6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 70749258) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID70749258
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)CN1C1CCCC1
InChIInChI=1S/C19H28N4O3/c24-16-11-14(20-18(26)21-16)12-22-9-7-19(8-10-22)6-5-17(25)23(13-19)15-3-1-2-4-15/h11,15H,1-10,12-13H2,(H2,20,21,24,26)
InChIKeyVONYMKMTEUOTDU-UHFFFAOYSA-N
XLogP1.21
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716601
2-cyclopentyl-9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717194
2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70730295
2-cyclopentyl-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70732483
2-cyclopentyl-9-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733482
9-(1H-imidazol-5-ylmethyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97281170
2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556
2-cyclopropyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748574
9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70717744
2-cyclopentyl-9-(2-phenylmethoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713615
6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 122560295
2-cyclopentyl-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72853987

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione (CID 70749258) is 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione is O=C1CCC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)CN1C1CCCC1.
What is the InChIKey of 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VONYMKMTEUOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-16-11-14(20-18(26)21-16)12-22-9-7-19(8-10-22)6-5-17(25)23(13-19)15-3-1-2-4-15/h11,15H,1-10,12-13H2,(H2,20,21,24,26).
What are the key properties of 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione?
6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 360.46 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70749258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).