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

C9H11N3O2 — CID 12539230

IUPAC1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1[nH]c2c(c1C)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C9H11N3O2/c1-4-5(2)10-7-6(4)8(13)11-9(14)12(7)3/h10H,1-3H3,(H,11,13,14)
InChIKeyXOUUOHWCLCMEFM-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.17
Rot. Bonds

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

1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 12539230) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID12539230
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1[nH]c2c(c1C)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C9H11N3O2/c1-4-5(2)10-7-6(4)8(13)11-9(14)12(7)3/h10H,1-3H3,(H,11,13,14)
InChIKeyXOUUOHWCLCMEFM-UHFFFAOYSA-N
XLogP0.17
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 12539230) is 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is Cc1[nH]c2c(c1C)c(=O)[nH]c(=O)n2C.
What is the InChIKey of 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XOUUOHWCLCMEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-4-5(2)10-7-6(4)8(13)11-9(14)12(7)3/h10H,1-3H3,(H,11,13,14).
What are the key properties of 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 193.21 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12539230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).