8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H17N5O3 — CID 75396073

IUPAC8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1
InChIInChI=1S/C13H17N5O3/c1-17-10(19)13(16-12(17)20)4-7-18(8-5-13)11-14-6-3-9(15-11)21-2/h3,6H,4-5,7-8H2,1-2H3,(H,16,20)
InChIKeyOWPCYRKTRJLFOY-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.01
Rot. Bonds2

About 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 75396073) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID75396073
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1
InChIInChI=1S/C13H17N5O3/c1-17-10(19)13(16-12(17)20)4-7-18(8-5-13)11-14-6-3-9(15-11)21-2/h3,6H,4-5,7-8H2,1-2H3,(H,16,20)
InChIKeyOWPCYRKTRJLFOY-UHFFFAOYSA-N
XLogP0.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 75396073) is 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1.
What is the InChIKey of 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OWPCYRKTRJLFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-17-10(19)13(16-12(17)20)4-7-18(8-5-13)11-14-6-3-9(15-11)21-2/h3,6H,4-5,7-8H2,1-2H3,(H,16,20).
What are the key properties of 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 291.31 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 75396073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).