3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C19H28N4O4 — CID 70761335

IUPAC3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1=O
InChIInChI=1S/C19H28N4O4/c1-21-18(25)14(9-20-19(21)26)8-17(24)23-11-13-2-3-16(23)12-22(10-13)15-4-6-27-7-5-15/h9,13,15-16H,2-8,10-12H2,1H3,(H,20,26)/t13-,16+/m0/s1
InChIKeyBPYYYHVMPJIOOM-XJKSGUPXSA-N
MW376.46 g/mol
LogP-0.28
Rot. Bonds3

About 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70761335) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70761335
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1=O
InChIInChI=1S/C19H28N4O4/c1-21-18(25)14(9-20-19(21)26)8-17(24)23-11-13-2-3-16(23)12-22(10-13)15-4-6-27-7-5-15/h9,13,15-16H,2-8,10-12H2,1H3,(H,20,26)/t13-,16+/m0/s1
InChIKeyBPYYYHVMPJIOOM-XJKSGUPXSA-N
XLogP-0.28
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-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 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70761335) is 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1=O.
What is the InChIKey of 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BPYYYHVMPJIOOM-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-21-18(25)14(9-20-19(21)26)8-17(24)23-11-13-2-3-16(23)12-22(10-13)15-4-6-27-7-5-15/h9,13,15-16H,2-8,10-12H2,1H3,(H,20,26)/t13-,16+/m0/s1.
What are the key properties of 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70761335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).