6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

C16H22N4O5 — CID 77094615

IUPAC6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C16H22N4O5/c1-10-11(13(22)18-14(23)17-10)8-12(21)20-6-3-4-16(5-7-20)9-19(2)15(24)25-16/h3-9H2,1-2H3,(H2,17,18,22,23)
InChIKeyYQPDIGQQUQKGKC-UHFFFAOYSA-N
MW350.38 g/mol
LogP-0.25
Rot. Bonds2

About 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 77094615) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID77094615
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C16H22N4O5/c1-10-11(13(22)18-14(23)17-10)8-12(21)20-6-3-4-16(5-7-20)9-19(2)15(24)25-16/h3-9H2,1-2H3,(H2,17,18,22,23)
InChIKeyYQPDIGQQUQKGKC-UHFFFAOYSA-N
XLogP-0.25
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 77094615) is 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC2(CC1)CN(C)C(=O)O2.
What is the InChIKey of 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YQPDIGQQUQKGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-10-11(13(22)18-14(23)17-10)8-12(21)20-6-3-4-16(5-7-20)9-19(2)15(24)25-16/h3-9H2,1-2H3,(H2,17,18,22,23).
What are the key properties of 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 77094615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).