6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione

C14H18N4O4 — CID 56754612

IUPAC6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCN1CCCC2(CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)C1=O
InChIInChI=1S/C14H18N4O4/c1-17-5-2-3-14(12(17)21)4-6-18(8-14)11(20)9-7-10(19)16-13(22)15-9/h7H,2-6,8H2,1H3,(H2,15,16,19,22)
InChIKeyPALBJYPENZGTND-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.85
Rot. Bonds1

About 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione

6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 56754612) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID56754612
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCN1CCCC2(CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)C1=O
InChIInChI=1S/C14H18N4O4/c1-17-5-2-3-14(12(17)21)4-6-18(8-14)11(20)9-7-10(19)16-13(22)15-9/h7H,2-6,8H2,1H3,(H2,15,16,19,22)
InChIKeyPALBJYPENZGTND-UHFFFAOYSA-N
XLogP-0.85
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione (CID 56754612) is 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione is CN1CCCC2(CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)C1=O.
What is the InChIKey of 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PALBJYPENZGTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-17-5-2-3-14(12(17)21)4-6-18(8-14)11(20)9-7-10(19)16-13(22)15-9/h7H,2-6,8H2,1H3,(H2,15,16,19,22).
What are the key properties of 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione?
6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56754612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).