5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine

C15H14BrN3O — CID 84609330

IUPAC5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cc2ncnc3c2c(Br)cn3C)cc1
InChIInChI=1S/C15H14BrN3O/c1-19-8-12(16)14-13(17-9-18-15(14)19)7-10-3-5-11(20-2)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyPQJXECNWUWFNHK-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine

5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 84609330) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID84609330
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cc2ncnc3c2c(Br)cn3C)cc1
InChIInChI=1S/C15H14BrN3O/c1-19-8-12(16)14-13(17-9-18-15(14)19)7-10-3-5-11(20-2)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyPQJXECNWUWFNHK-UHFFFAOYSA-N
XLogP3.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491
4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167309589
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664
3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene
CID 152568718
5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
CID 141381468
4,5-bis[(4-methoxyphenyl)methyl]-1H-imidazole
CID 154346449
3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 11978219
5-bromo-4-[(4-methoxyphenoxy)methyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 84609700
6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 129053983
3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole
CID 175042275
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066
6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 94963899

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine (CID 84609330) is 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine is COc1ccc(Cc2ncnc3c2c(Br)cn3C)cc1.
What is the InChIKey of 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is PQJXECNWUWFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-19-8-12(16)14-13(17-9-18-15(14)19)7-10-3-5-11(20-2)6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine?
5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 332.20 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 84609330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).