5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

C16H22N6O4 — CID 91790487

IUPAC5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCN(C)C1=NC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)C(=O)N1
InChIInChI=1S/C16H22N6O4/c1-20(2)14-18-13(25)16(19-14)4-6-22(7-5-16)11(23)8-10-9-17-15(26)21(3)12(10)24/h9H,4-8H2,1-3H3,(H,17,26)(H,18,19,25)
InChIKeyHNXREHWAHHOELZ-UHFFFAOYSA-N
MW362.39 g/mol
LogP-1.98
Rot. Bonds2

About 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 91790487) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID91790487
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCN(C)C1=NC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)C(=O)N1
InChIInChI=1S/C16H22N6O4/c1-20(2)14-18-13(25)16(19-14)4-6-22(7-5-16)11(23)8-10-9-17-15(26)21(3)12(10)24/h9H,4-8H2,1-3H3,(H,17,26)(H,18,19,25)
InChIKeyHNXREHWAHHOELZ-UHFFFAOYSA-N
XLogP-1.98
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 91790487) is 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is CN(C)C1=NC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)C(=O)N1.
What is the InChIKey of 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is HNXREHWAHHOELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-20(2)14-18-13(25)16(19-14)4-6-22(7-5-16)11(23)8-10-9-17-15(26)21(3)12(10)24/h9H,4-8H2,1-3H3,(H,17,26)(H,18,19,25).
What are the key properties of 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 362.39 g/mol, XLogP of -1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91790487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).