6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C16H17N3O2 — CID 154786059

IUPAC6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ccc3c(c1)COC3)C2
InChIInChI=1S/C16H17N3O2/c1-10-17-15-7-19(6-14(15)16(20)18-10)5-11-2-3-12-8-21-9-13(12)4-11/h2-4H,5-9H2,1H3,(H,17,18,20)
InChIKeySZBQZIBBXUFULW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.62
Rot. Bonds2

About 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 154786059) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID154786059
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ccc3c(c1)COC3)C2
InChIInChI=1S/C16H17N3O2/c1-10-17-15-7-19(6-14(15)16(20)18-10)5-11-2-3-12-8-21-9-13(12)4-11/h2-4H,5-9H2,1H3,(H,17,18,20)
InChIKeySZBQZIBBXUFULW-UHFFFAOYSA-N
XLogP1.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137177360
6-[(3,4-dichlorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674510
7-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865381
2-methyl-7-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136763937
6-[3-(4-fluorophenyl)-2-hydroxypropyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136563111
2-methyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918226
2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136563118
6-[(5-bromo-3-pyridinyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944639
2-methyl-7-(pyridin-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867243
2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943280
6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944379
2-methyl-7-[(3-methylphenyl)methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136763211

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 154786059) is 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1ccc3c(c1)COC3)C2.
What is the InChIKey of 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is SZBQZIBBXUFULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-17-15-7-19(6-14(15)16(20)18-10)5-11-2-3-12-8-21-9-13(12)4-11/h2-4H,5-9H2,1H3,(H,17,18,20).
What are the key properties of 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 154786059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).