5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C13H19N3O2 — CID 3041227

IUPAC5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCCCc1c(C)[nH]c2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H19N3O2/c1-5-6-7-9-8(2)14-11-10(9)12(17)16(4)13(18)15(11)3/h14H,5-7H2,1-4H3
InChIKeyLDVYWVWRKISVMO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.22
Rot. Bonds3

About 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 3041227) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID3041227
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCCCc1c(C)[nH]c2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H19N3O2/c1-5-6-7-9-8(2)14-11-10(9)12(17)16(4)13(18)15(11)3/h14H,5-7H2,1-4H3
InChIKeyLDVYWVWRKISVMO-UHFFFAOYSA-N
XLogP1.22
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 3041227) is 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is CCCCc1c(C)[nH]c2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LDVYWVWRKISVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-6-7-9-8(2)14-11-10(9)12(17)16(4)13(18)15(11)3/h14H,5-7H2,1-4H3.
What are the key properties of 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 249.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,3,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3041227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).