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

C9H11N3O2 — CID 148691244

IUPAC1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC1=Nc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C9H11N3O2/c1-5-4-6-7(10-5)11(2)9(14)12(3)8(6)13/h4H2,1-3H3
InChIKeyNTNBVXNAKUJMKF-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.27
Rot. Bonds

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

1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 148691244) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID148691244
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC1=Nc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C9H11N3O2/c1-5-4-6-7(10-5)11(2)9(14)12(3)8(6)13/h4H2,1-3H3
InChIKeyNTNBVXNAKUJMKF-UHFFFAOYSA-N
XLogP-0.27
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 148691244) is 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is CC1=Nc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NTNBVXNAKUJMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-4-6-7(10-5)11(2)9(14)12(3)8(6)13/h4H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 193.21 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 148691244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).