(4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C21H26N4O6 — CID 93004718

IUPAC(4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N2CCOCC2)C3)c1OC
InChIInChI=1S/C21H26N4O6/c1-23-14-11-25(12-16(26)24-7-9-31-10-8-24)20(27)17(14)18(22-21(23)28)13-5-4-6-15(29-2)19(13)30-3/h4-6,18H,7-12H2,1-3H3,(H,22,28)/t18-/m1/s1
InChIKeyOMWIWSREPNLNMC-GOSISDBHSA-N
MW430.46 g/mol
LogP0.35
Rot. Bonds5

About (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

(4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 93004718) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID93004718
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name(4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N2CCOCC2)C3)c1OC
InChIInChI=1S/C21H26N4O6/c1-23-14-11-25(12-16(26)24-7-9-31-10-8-24)20(27)17(14)18(22-21(23)28)13-5-4-6-15(29-2)19(13)30-3/h4-6,18H,7-12H2,1-3H3,(H,22,28)/t18-/m1/s1
InChIKeyOMWIWSREPNLNMC-GOSISDBHSA-N
XLogP0.35
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

4-(2,3-dimethoxyphenyl)-6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42873808
(4R)-6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-(2,3-dimethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 98406261
N-cyclopropyl-2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 42873813
(4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(3-methylbutyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7396252
(4S)-6-butyl-4-(2,3-dimethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7347778
2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 46075656
2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide
CID 46075644
2-[(4R)-4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide
CID 93004696
(4S)-4-(2-methoxyphenyl)-1-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004910
(4R)-1-methyl-6-(2-oxo-2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004490
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46168382
N-cyclohexyl-2-[4-(2-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 46168373

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 93004718) is (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N2CCOCC2)C3)c1OC.
What is the InChIKey of (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is OMWIWSREPNLNMC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-23-14-11-25(12-16(26)24-7-9-31-10-8-24)20(27)17(14)18(22-21(23)28)13-5-4-6-15(29-2)19(13)30-3/h4-6,18H,7-12H2,1-3H3,(H,22,28)/t18-/m1/s1.
What are the key properties of (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
(4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 430.46 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-dimethoxyphenyl)-1-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 93004718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).