6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C18H21N3O3 — CID 10336560

IUPAC6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(O)cc3)cc21
InChIInChI=1S/C18H21N3O3/c1-12(2)8-21-16-11-20(9-13-4-6-14(22)7-5-13)10-15(16)17(23)19(3)18(21)24/h4-7,10-12,22H,8-9H2,1-3H3
InChIKeyTYLJISTVBOMQNP-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.91
Rot. Bonds4

About 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 10336560) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID10336560
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(O)cc3)cc21
InChIInChI=1S/C18H21N3O3/c1-12(2)8-21-16-11-20(9-13-4-6-14(22)7-5-13)10-15(16)17(23)19(3)18(21)24/h4-7,10-12,22H,8-9H2,1-3H3
InChIKeyTYLJISTVBOMQNP-UHFFFAOYSA-N
XLogP1.91
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 10336560) is 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(O)cc3)cc21.
What is the InChIKey of 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is TYLJISTVBOMQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)8-21-16-11-20(9-13-4-6-14(22)7-5-13)10-15(16)17(23)19(3)18(21)24/h4-7,10-12,22H,8-9H2,1-3H3.
What are the key properties of 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10336560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).