5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione

C13H19N3O2 — CID 10264078

IUPAC5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(ccn2C)n(CCC)c1=O
InChIInChI=1S/C13H19N3O2/c1-4-7-15-10-6-9-14(3)11(10)12(17)16(8-5-2)13(15)18/h6,9H,4-5,7-8H2,1-3H3
InChIKeyZXMNPTLAGMLPFI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.32
Rot. Bonds4

About 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione

5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10264078) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10264078
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(ccn2C)n(CCC)c1=O
InChIInChI=1S/C13H19N3O2/c1-4-7-15-10-6-9-14(3)11(10)12(17)16(8-5-2)13(15)18/h6,9H,4-5,7-8H2,1-3H3
InChIKeyZXMNPTLAGMLPFI-UHFFFAOYSA-N
XLogP1.32
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10264078) is 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2c(ccn2C)n(CCC)c1=O.
What is the InChIKey of 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZXMNPTLAGMLPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-7-15-10-6-9-14(3)11(10)12(17)16(8-5-2)13(15)18/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 249.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10264078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).