3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione

C18H26N4O4 — CID 72891329

IUPAC3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)N1CCCC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)C1=O
InChIInChI=1S/C18H26N4O4/c1-12(2)22-7-4-5-18(16(22)25)6-8-21(11-18)14(23)9-13-10-19-17(26)20(3)15(13)24/h10,12H,4-9,11H2,1-3H3,(H,19,26)
InChIKeyQZKYDACVOZGNQL-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.13
Rot. Bonds3

About 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72891329) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID72891329
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)N1CCCC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)C1=O
InChIInChI=1S/C18H26N4O4/c1-12(2)22-7-4-5-18(16(22)25)6-8-21(11-18)14(23)9-13-10-19-17(26)20(3)15(13)24/h10,12H,4-9,11H2,1-3H3,(H,19,26)
InChIKeyQZKYDACVOZGNQL-UHFFFAOYSA-N
XLogP-0.13
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione (CID 72891329) is 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione is CC(C)N1CCCC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)C1=O.
What is the InChIKey of 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QZKYDACVOZGNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12(2)22-7-4-5-18(16(22)25)6-8-21(11-18)14(23)9-13-10-19-17(26)20(3)15(13)24/h10,12H,4-9,11H2,1-3H3,(H,19,26).
What are the key properties of 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72891329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).