7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C8H8BrN3O2 — CID 2336646

IUPAC7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2[nH]cc(Br)c2n(C)c1=O
InChIInChI=1S/C8H8BrN3O2/c1-11-6-4(9)3-10-5(6)7(13)12(2)8(11)14/h3,10H,1-2H3
InChIKeyDCSPXSBKVLCEGM-UHFFFAOYSA-N
MW258.07 g/mol
LogP0.33
Rot. Bonds

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

7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 2336646) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID2336646
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2[nH]cc(Br)c2n(C)c1=O
InChIInChI=1S/C8H8BrN3O2/c1-11-6-4(9)3-10-5(6)7(13)12(2)8(11)14/h3,10H,1-2H3
InChIKeyDCSPXSBKVLCEGM-UHFFFAOYSA-N
XLogP0.33
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 2336646) is 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2[nH]cc(Br)c2n(C)c1=O.
What is the InChIKey of 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is DCSPXSBKVLCEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c1-11-6-4(9)3-10-5(6)7(13)12(2)8(11)14/h3,10H,1-2H3.
What are the key properties of 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 258.07 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2336646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).