7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine

C8H7BrClN3 — CID 86666637

IUPAC7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2[nH]c(C)c(Br)c2n1
InChIInChI=1S/C8H7BrClN3/c1-3-5(9)6-7(11-3)8(10)13-4(2)12-6/h11H,1-2H3
InChIKeyYKJSBXVOMDPZKS-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.99
Rot. Bonds

About 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine

7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 86666637) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID86666637
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2[nH]c(C)c(Br)c2n1
InChIInChI=1S/C8H7BrClN3/c1-3-5(9)6-7(11-3)8(10)13-4(2)12-6/h11H,1-2H3
InChIKeyYKJSBXVOMDPZKS-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6-chloro-2-methyl-7H-purine
CID 83900191
4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one
CID 174272394
6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine
CID 130115241
5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine
CID 24903878
8-bromo-4-chloro-2,5-dimethylquinazoline
CID 134691884
7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine
CID 23559516
4-chloro-2-fluoro-5-methyl-1H-imidazole
CID 138494865
4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine
CID 157497891
7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 118418351
5-bromo-4,6-dimethyl-1H-pyrimidin-2-one
CID 608811
4-chloro-2,8-dimethylquinazoline
CID 71721381
5-bromo-6-methyl-2-phenyl-1H-pyrimidine-4-thione
CID 106479091

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine (CID 86666637) is 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(Cl)c2[nH]c(C)c(Br)c2n1.
What is the InChIKey of 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is YKJSBXVOMDPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/c1-3-5(9)6-7(11-3)8(10)13-4(2)12-6/h11H,1-2H3.
What are the key properties of 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 260.52 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 86666637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).