7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one

C14H13N3O2 — CID 135979275

IUPAC7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(-c2[nH]c(C)c3c(=O)[nH]cnc23)cc1
InChIInChI=1S/C14H13N3O2/c1-8-11-13(15-7-16-14(11)18)12(17-8)9-3-5-10(19-2)6-4-9/h3-7,17H,1-2H3,(H,15,16,18)
InChIKeyFPPONKCHMJNLGM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds2

About 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one

7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 135979275) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID135979275
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(-c2[nH]c(C)c3c(=O)[nH]cnc23)cc1
InChIInChI=1S/C14H13N3O2/c1-8-11-13(15-7-16-14(11)18)12(17-8)9-3-5-10(19-2)6-4-9/h3-7,17H,1-2H3,(H,15,16,18)
InChIKeyFPPONKCHMJNLGM-UHFFFAOYSA-N
XLogP2.24
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 135979275) is 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one is COc1ccc(-c2[nH]c(C)c3c(=O)[nH]cnc23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is FPPONKCHMJNLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-11-13(15-7-16-14(11)18)12(17-8)9-3-5-10(19-2)6-4-9/h3-7,17H,1-2H3,(H,15,16,18).
What are the key properties of 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 255.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135979275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).