1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C22H21N3O2 — CID 10406167

IUPAC1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(Cc3cccc4ccccc34)cc2n(CC2CC2)c1=O
InChIInChI=1S/C22H21N3O2/c1-23-21(26)19-13-24(14-20(19)25(22(23)27)11-15-9-10-15)12-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,13-15H,9-12H2,1H3
InChIKeyOIEMQYSQZAMDTA-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.11
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 10406167) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID10406167
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(Cc3cccc4ccccc34)cc2n(CC2CC2)c1=O
InChIInChI=1S/C22H21N3O2/c1-23-21(26)19-13-24(14-20(19)25(22(23)27)11-15-9-10-15)12-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,13-15H,9-12H2,1H3
InChIKeyOIEMQYSQZAMDTA-UHFFFAOYSA-N
XLogP3.11
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 10406167) is 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2cn(Cc3cccc4ccccc34)cc2n(CC2CC2)c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is OIEMQYSQZAMDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-23-21(26)19-13-24(14-20(19)25(22(23)27)11-15-9-10-15)12-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,13-15H,9-12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10406167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).