6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one

C14H18N4O3 — CID 138049385

IUPAC6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one
SMILESCC1CN(C(=O)Cn2cnc3cn(C)cc3c2=O)CCO1
InChIInChI=1S/C14H18N4O3/c1-10-5-17(3-4-21-10)13(19)8-18-9-15-12-7-16(2)6-11(12)14(18)20/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyWXELPWNCEGZBAI-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.02
Rot. Bonds2

About 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one

6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 138049385) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID138049385
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one
SMILESCC1CN(C(=O)Cn2cnc3cn(C)cc3c2=O)CCO1
InChIInChI=1S/C14H18N4O3/c1-10-5-17(3-4-21-10)13(19)8-18-9-15-12-7-16(2)6-11(12)14(18)20/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyWXELPWNCEGZBAI-UHFFFAOYSA-N
XLogP-0.02
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 46674983
5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 126787944
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 30895758
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62101718
2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248183
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 42928816
6-chloro-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587468
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one
CID 7227422
6-bromo-3-[2-[(3R)-3-methylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124620535

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one (CID 138049385) is 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one is CC1CN(C(=O)Cn2cnc3cn(C)cc3c2=O)CCO1.
What is the InChIKey of 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is WXELPWNCEGZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10-5-17(3-4-21-10)13(19)8-18-9-15-12-7-16(2)6-11(12)14(18)20/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one?
6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 290.32 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 138049385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).