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

C16H24N4O4 — CID 70747316

IUPAC6-[[2-(2-hydroxyethyl)-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)CN1CCO
InChIInChI=1S/C16H24N4O4/c21-7-6-20-11-16(4-2-14(20)23)3-1-5-19(10-16)9-12-8-13(22)18-15(24)17-12/h8,21H,1-7,9-11H2,(H2,17,18,22,24)
InChIKeyFZJROVRCSRHPAE-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.74
Rot. Bonds4

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

6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 70747316) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID70747316
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name6-[[2-(2-hydroxyethyl)-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)CN1CCO
InChIInChI=1S/C16H24N4O4/c21-7-6-20-11-16(4-2-14(20)23)3-1-5-19(10-16)9-12-8-13(22)18-15(24)17-12/h8,21H,1-7,9-11H2,(H2,17,18,22,24)
InChIKeyFZJROVRCSRHPAE-UHFFFAOYSA-N
XLogP-0.74
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(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
6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 70774157
6-[(6R)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
CID 95862653
6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
CID 95862654
6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95874096
6-[[(6R)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95874097
6-[[(6S)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 96393325
6-[[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 96393329

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (CID 70747316) is 6-[[2-(2-hydroxyethyl)-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-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[2-(2-hydroxyethyl)-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)CN1CCO.
What is the InChIKey of 6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FZJROVRCSRHPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c21-7-6-20-11-16(4-2-14(20)23)3-1-5-19(10-16)9-12-8-13(22)18-15(24)17-12/h8,21H,1-7,9-11H2,(H2,17,18,22,24).
What are the key properties of 6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70747316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).