6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C24H32N4O4 — CID 10252698

IUPAC6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2cc3c(c2CN2CCOCC2)c(=O)n(C)c(=O)n3CC(C)C)cc1
InChIInChI=1S/C24H32N4O4/c1-17(2)13-28-21-16-27(14-18-5-7-19(31-4)8-6-18)20(15-26-9-11-32-12-10-26)22(21)23(29)25(3)24(28)30/h5-8,16-17H,9-15H2,1-4H3
InChIKeyDEYAXILXIPPJMM-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.05
Rot. Bonds7

About 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 10252698) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID10252698
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2cc3c(c2CN2CCOCC2)c(=O)n(C)c(=O)n3CC(C)C)cc1
InChIInChI=1S/C24H32N4O4/c1-17(2)13-28-21-16-27(14-18-5-7-19(31-4)8-6-18)20(15-26-9-11-32-12-10-26)22(21)23(29)25(3)24(28)30/h5-8,16-17H,9-15H2,1-4H3
InChIKeyDEYAXILXIPPJMM-UHFFFAOYSA-N
XLogP2.05
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-Hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2011795
1-isobutyl-6-(4-methoxybenzyl)-3-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 10246701
6-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663983
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664086
6-(2,5-dimethoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665200
N-(6-methoxy-3-pyridinyl)-2-[4-(1-methyl-2,4-dioxo-3-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11503616
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide
CID 11584027
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 11677252
5-(4-Methoxyphenyl)-1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 661066
6-[(4-methoxyphenyl)methyl]-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 9551244
6-[(2-Methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10042947
6-[(3-Methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10042948

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 10252698) is 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is COc1ccc(Cn2cc3c(c2CN2CCOCC2)c(=O)n(C)c(=O)n3CC(C)C)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is DEYAXILXIPPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-17(2)13-28-21-16-27(14-18-5-7-19(31-4)8-6-18)20(15-26-9-11-32-12-10-26)22(21)23(29)25(3)24(28)30/h5-8,16-17H,9-15H2,1-4H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 440.54 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10252698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).