6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione

C19H28N4O3 — CID 70764910

IUPAC6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CN1C1CCCC1
InChIInChI=1S/C19H28N4O3/c24-16-10-14(20-18(26)21-16)11-22-9-3-7-19(12-22)8-6-17(25)23(13-19)15-4-1-2-5-15/h10,15H,1-9,11-13H2,(H2,20,21,24,26)
InChIKeyDTXKHXQVGOOYTQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.21
Rot. Bonds3

About 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione

6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 70764910) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID70764910
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CN1C1CCCC1
InChIInChI=1S/C19H28N4O3/c24-16-10-14(20-18(26)21-16)11-22-9-3-7-19(12-22)8-6-17(25)23(13-19)15-4-1-2-5-15/h10,15H,1-9,11-13H2,(H2,20,21,24,26)
InChIKeyDTXKHXQVGOOYTQ-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

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Related Compounds

6-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]methyl}pyrimidine-2,4(1H,3H)-dione
CID 56873186
6-{[8-(3-methoxypropyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]methyl}-2,4(1H,3H)-pyrimidinedione
CID 70707954
6-({8-[2-(dimethylamino)ethyl]-9-oxo-2,8-diazaspiro[5.5]undec-2-yl}carbonyl)-2,4(1H,3H)-pyrimidinedione
CID 70723742
6-{[8-(2-hydroxyethyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]methyl}-2,4(1H,3H)-pyrimidinedione
CID 70747316
6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undec-9-yl)methyl]pyrimidine-2,4(1H,3H)-dione
CID 70749258
1-[2-(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 70767048
6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 70774157
6-[(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)carbonyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 72898654
1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undec-9-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 72898666
6-[[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95553055
6-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95553056
6-[(6R)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
CID 95862653

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione (CID 70764910) is 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione is O=C1CCC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CN1C1CCCC1.
What is the InChIKey of 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DTXKHXQVGOOYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-16-10-14(20-18(26)21-16)11-22-9-3-7-19(12-22)8-6-17(25)23(13-19)15-4-1-2-5-15/h10,15H,1-9,11-13H2,(H2,20,21,24,26).
What are the key properties of 6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione?
6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-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-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70764910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).