6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C18H28N4O4 — CID 75512216

IUPAC6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCC3(CCCCC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-26-10-9-22-15(19)14(16(24)20-17(22)25)13(23)11-21-8-7-18(12-21)5-3-2-4-6-18/h2-12,19H2,1H3,(H,20,24,25)
InChIKeyDXHPDMVRGAEAOJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.60
Rot. Bonds6

About 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 75512216) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID75512216
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCC3(CCCCC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-26-10-9-22-15(19)14(16(24)20-17(22)25)13(23)11-21-8-7-18(12-21)5-3-2-4-6-18/h2-12,19H2,1H3,(H,20,24,25)
InChIKeyDXHPDMVRGAEAOJ-UHFFFAOYSA-N
XLogP0.60
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-(2-methoxyethyl)-5-[2-(3-methylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
CID 24564922
6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56526778
6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56526911
6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 86778046
6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 35028305
6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56525891
ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 4851000
6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 124738428
6-amino-5-[2-[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 124738427
6-amino-5-[2-(4-ethoxyphenyl)sulfanylacetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42089527
6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione
CID 56549542
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 75512216) is 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN2CCC3(CCCCC3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is DXHPDMVRGAEAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-26-10-9-22-15(19)14(16(24)20-17(22)25)13(23)11-21-8-7-18(12-21)5-3-2-4-6-18/h2-12,19H2,1H3,(H,20,24,25).
What are the key properties of 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 75512216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).