5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione

C18H28N4O3 — CID 56742471

IUPAC5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC3(CCCN(C)CC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O3/c1-14-12-22(17(25)19-16(14)24)13-15(23)21-10-6-18(7-11-21)4-3-8-20(2)9-5-18/h12H,3-11,13H2,1-2H3,(H,19,24,25)
InChIKeyHIVDRKBYISUJNP-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.57
Rot. Bonds2

About 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione

5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 56742471) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID56742471
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC3(CCCN(C)CC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O3/c1-14-12-22(17(25)19-16(14)24)13-15(23)21-10-6-18(7-11-21)4-3-8-20(2)9-5-18/h12H,3-11,13H2,1-2H3,(H,19,24,25)
InChIKeyHIVDRKBYISUJNP-UHFFFAOYSA-N
XLogP0.57
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]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 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 56742471) is 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCC3(CCCN(C)CC3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is HIVDRKBYISUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14-12-22(17(25)19-16(14)24)13-15(23)21-10-6-18(7-11-21)4-3-8-20(2)9-5-18/h12H,3-11,13H2,1-2H3,(H,19,24,25).
What are the key properties of 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 348.45 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56742471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).