8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H23N5O4 — CID 165421456

IUPAC8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ncc(C(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)c(=O)[nH]1
InChIInChI=1S/C17H23N5O4/c1-10(2)9-22-16(26)20-15(25)17(22)4-6-21(7-5-17)14(24)12-8-18-11(3)19-13(12)23/h8,10H,4-7,9H2,1-3H3,(H,18,19,23)(H,20,25,26)
InChIKeyRGPJXQAPSHGBBQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.26
Rot. Bonds3

About 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165421456) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165421456
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ncc(C(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)c(=O)[nH]1
InChIInChI=1S/C17H23N5O4/c1-10(2)9-22-16(26)20-15(25)17(22)4-6-21(7-5-17)14(24)12-8-18-11(3)19-13(12)23/h8,10H,4-7,9H2,1-3H3,(H,18,19,23)(H,20,25,26)
InChIKeyRGPJXQAPSHGBBQ-UHFFFAOYSA-N
XLogP0.26
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165421456) is 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1ncc(C(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)c(=O)[nH]1.
What is the InChIKey of 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RGPJXQAPSHGBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-10(2)9-22-16(26)20-15(25)17(22)4-6-21(7-5-17)14(24)12-8-18-11(3)19-13(12)23/h8,10H,4-7,9H2,1-3H3,(H,18,19,23)(H,20,25,26).
What are the key properties of 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165421456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).