(5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol

C8H8BrN3O — CID 155310387

IUPAC(5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
SMILESCn1cc(Br)c2c(CO)ncnc21
InChIInChI=1S/C8H8BrN3O/c1-12-2-5(9)7-6(3-13)10-4-11-8(7)12/h2,4,13H,3H2,1H3
InChIKeyGEDPLGUIIVDOKQ-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.22
Rot. Bonds1

About (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol

(5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol (PubChem CID 155310387) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
PubChem CID155310387
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name(5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
SMILESCn1cc(Br)c2c(CO)ncnc21
InChIInChI=1S/C8H8BrN3O/c1-12-2-5(9)7-6(3-13)10-4-11-8(7)12/h2,4,13H,3H2,1H3
InChIKeyGEDPLGUIIVDOKQ-UHFFFAOYSA-N
XLogP1.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 84609330
5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 84609756
(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
CID 118798143
methyl 5-chloro-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 73425278
4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine
CID 82375483
4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 57443579
bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 174701900
2-(4-bromo-1-methylpyrazol-3-yl)ethanol
CID 84672844
4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine
CID 145275680
4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 177261833
tert-butyl N-[5-bromo-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171090811
methyl 4-[2-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
CID 67940651

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol?
The IUPAC name of (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol (CID 155310387) is (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol.
What is the SMILES notation for (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol?
The canonical SMILES for (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol is Cn1cc(Br)c2c(CO)ncnc21.
What is the InChIKey of (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol?
The InChIKey is GEDPLGUIIVDOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-12-2-5(9)7-6(3-13)10-4-11-8(7)12/h2,4,13H,3H2,1H3.
What are the key properties of (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol?
(5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol has a molecular weight of 242.08 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol is sourced from PubChem (CID 155310387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).