6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C19H23N3O2 — CID 2018511

IUPAC6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCCCCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H23N3O2/c1-5-6-10-22-12-15-16(18(23)21(4)19(24)20(15)3)17(22)14-9-7-8-13(2)11-14/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyLFIWTCWXMULTPR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.81
Rot. Bonds4

About 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 2018511) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID2018511
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCCCCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H23N3O2/c1-5-6-10-22-12-15-16(18(23)21(4)19(24)20(15)3)17(22)14-9-7-8-13(2)11-14/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyLFIWTCWXMULTPR-UHFFFAOYSA-N
XLogP2.81
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 2018511) is 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is CCCCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is LFIWTCWXMULTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-5-6-10-22-12-15-16(18(23)21(4)19(24)20(15)3)17(22)14-9-7-8-13(2)11-14/h7-9,11-12H,5-6,10H2,1-4H3.
What are the key properties of 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 325.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2018511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).