5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine

C7H6BrN3 — CID 126970379

IUPAC5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1[nH]c2ncncc2c1Br
InChIInChI=1S/C7H6BrN3/c1-4-6(8)5-2-9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11)
InChIKeyBQMJRASYMQZYOH-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.03
Rot. Bonds

About 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine

5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 126970379) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID126970379
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1[nH]c2ncncc2c1Br
InChIInChI=1S/C7H6BrN3/c1-4-6(8)5-2-9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11)
InChIKeyBQMJRASYMQZYOH-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine
CID 53364059
5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 70115518
1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione
CID 175871069
2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine
CID 142470448
4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
CID 162388606
5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 82375433
2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 143285060
3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen
CID 145480449
5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 123822296
(E)-N-hydroxy-3-[4-[[2-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 53364277
ethyl 9H-pyrimido[4,5-b]indole-5-carboxylate
CID 175816766
ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 126970379) is 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1[nH]c2ncncc2c1Br.
What is the InChIKey of 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is BQMJRASYMQZYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-4-6(8)5-2-9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11).
What are the key properties of 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 212.05 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126970379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).