[1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol

C14H12BrFN4O2 — CID 58221639

IUPAC[1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol
SMILESCOc1cc(Br)cc2c1c(CO)cn2-c1nc(N)ncc1F
InChIInChI=1S/C14H12BrFN4O2/c1-22-11-3-8(15)2-10-12(11)7(6-21)5-20(10)13-9(16)4-18-14(17)19-13/h2-5,21H,6H2,1H3,(H2,17,18,19)
InChIKeyBJWWNWRJFHWLCG-UHFFFAOYSA-N
MW367.18 g/mol
LogP2.41
Rot. Bonds3

About [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol

[1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol (PubChem CID 58221639) has the molecular formula C14H12BrFN4O2 and a molecular weight of 367.18 g/mol. Its IUPAC name is [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol
PubChem CID58221639
Molecular FormulaC14H12BrFN4O2
Molecular Weight367.18 g/mol
Exact Mass366.01
IUPAC Name[1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol
SMILESCOc1cc(Br)cc2c1c(CO)cn2-c1nc(N)ncc1F
InChIInChI=1S/C14H12BrFN4O2/c1-22-11-3-8(15)2-10-12(11)7(6-21)5-20(10)13-9(16)4-18-14(17)19-13/h2-5,21H,6H2,1H3,(H2,17,18,19)
InChIKeyBJWWNWRJFHWLCG-UHFFFAOYSA-N
XLogP2.41
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.18
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol with MolForge

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Related Compounds

3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol
CID 10380356
US12011444, Example 17
CID 141525033
US12011444, Example 28
CID 141525165
4-(6-Bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline
CID 18932878
2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine
CID 50996165
1-[2-[1-(2-Amino-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-4-methoxyindol-6-yl]ethynyl]cyclopentan-1-ol
CID 58221287
1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxy-1H-indole-3-carbaldehyde
CID 58221493
4-(6-Bromo-4-methoxyindol-1-yl)-5-fluoropyrimidin-2-amine
CID 58221498
4-(6-Bromo-4-methoxyindolin-1-yl)-5-fluoropyrimidin-2-amine
CID 58221893
1-[1-(2-Amino-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-4-methoxyindol-6-yl]cyclopentan-1-ol
CID 68370642
1-[1-(2-Amino-5-fluoropyrimidin-4-yl)-4-methoxyindol-6-yl]cyclopentan-1-ol
CID 68370852
CID 89121736
CID 89121736

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol?
The IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol (CID 58221639) is [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol?
The canonical SMILES for [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol is COc1cc(Br)cc2c1c(CO)cn2-c1nc(N)ncc1F.
What is the InChIKey of [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol?
The InChIKey is BJWWNWRJFHWLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4O2/c1-22-11-3-8(15)2-10-12(11)7(6-21)5-20(10)13-9(16)4-18-14(17)19-13/h2-5,21H,6H2,1H3,(H2,17,18,19).
What are the key properties of [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol?
[1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol has a molecular weight of 367.18 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindol-3-yl]methanol is sourced from PubChem (CID 58221639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).