1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione

C17H17N3O2 — CID 10266501

IUPAC1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(cc(/C=C/c3ccccc3)n2C)n(C)c1=O
InChIInChI=1S/C17H17N3O2/c1-18-13(10-9-12-7-5-4-6-8-12)11-14-15(18)16(21)20(3)17(22)19(14)2/h4-11H,1-3H3/b10-9+
InChIKeyCPTGMMDIEVVMQA-MDZDMXLPSA-N
MW295.34 g/mol
LogP1.75
Rot. Bonds2

About 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione

1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10266501) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10266501
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(cc(/C=C/c3ccccc3)n2C)n(C)c1=O
InChIInChI=1S/C17H17N3O2/c1-18-13(10-9-12-7-5-4-6-8-12)11-14-15(18)16(21)20(3)17(22)19(14)2/h4-11H,1-3H3/b10-9+
InChIKeyCPTGMMDIEVVMQA-MDZDMXLPSA-N
XLogP1.75
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10266501) is 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(cc(/C=C/c3ccccc3)n2C)n(C)c1=O.
What is the InChIKey of 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is CPTGMMDIEVVMQA-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-18-13(10-9-12-7-5-4-6-8-12)11-14-15(18)16(21)20(3)17(22)19(14)2/h4-11H,1-3H3/b10-9+.
What are the key properties of 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione?
1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 295.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-[(E)-2-phenylethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10266501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).