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

C18H29N5O3 — CID 70774157

IUPAC6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)CCN1CC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C18H29N5O3/c1-21(2)8-9-23-13-18(6-4-16(23)25)5-3-7-22(12-18)11-14-10-15(24)20-17(26)19-14/h10H,3-9,11-13H2,1-2H3,(H2,19,20,24,26)
InChIKeyGADXRDHIFLLAIT-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.17
Rot. Bonds5

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

6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 70774157) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID70774157
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)CCN1CC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C18H29N5O3/c1-21(2)8-9-23-13-18(6-4-16(23)25)5-3-7-22(12-18)11-14-10-15(24)20-17(26)19-14/h10H,3-9,11-13H2,1-2H3,(H2,19,20,24,26)
InChIKeyGADXRDHIFLLAIT-UHFFFAOYSA-N
XLogP-0.17
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[8-(3-methylbutyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 72903246
4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137248440
1-[2-(8-butyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 72853815
6-[[4-(Cyclohexanecarbonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 53541727
6-[[4-(2-Cyclohexylacetyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 56383487
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
6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione
CID 70764910
1-[2-(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 70767048
1-[3-(8-ethyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-3-oxopropyl]-2,4(1H,3H)-pyrimidinedione
CID 70774929

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (CID 70774157) is 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is CN(C)CCN1CC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O.
What is the InChIKey of 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GADXRDHIFLLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-21(2)8-9-23-13-18(6-4-16(23)25)5-3-7-22(12-18)11-14-10-15(24)20-17(26)19-14/h10H,3-9,11-13H2,1-2H3,(H2,19,20,24,26).
What are the key properties of 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70774157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).