1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde

C14H10BrFN4O2 — CID 58221493

IUPAC1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde
SMILESCOc1cc(Br)cc2c1c(C=O)cn2-c1nc(N)ncc1F
InChIInChI=1S/C14H10BrFN4O2/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/h2-6H,1H3,(H2,17,18,19)
InChIKeySHRKCNGFRUUICL-UHFFFAOYSA-N
MW365.16 g/mol
LogP2.73
Rot. Bonds3

About 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde

1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde (PubChem CID 58221493) has the molecular formula C14H10BrFN4O2 and a molecular weight of 365.16 g/mol. Its IUPAC name is 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde
PubChem CID58221493
Molecular FormulaC14H10BrFN4O2
Molecular Weight365.16 g/mol
Exact Mass364.00
IUPAC Name1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde
SMILESCOc1cc(Br)cc2c1c(C=O)cn2-c1nc(N)ncc1F
InChIInChI=1S/C14H10BrFN4O2/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/h2-6H,1H3,(H2,17,18,19)
InChIKeySHRKCNGFRUUICL-UHFFFAOYSA-N
XLogP2.73
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-Bromo-4-methoxyindol-1-yl)-5-fluoropyrimidin-2-amine
CID 58221498
(1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxy-1H-indol-3-yl)methanol
CID 58221639
4-(6-Bromo-4-methoxyindolin-1-yl)-5-fluoropyrimidin-2-amine
CID 58221893
CID 89121738
CID 89121738
2-Amino-7-bromo-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 175985311
2-Amino-7-bromo-6-cyclopropyl-1-(2-ethyl-5-fluoro-3-methoxy-6-methylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 175985328
9-bromo-2-methoxy-5-(5-pyrimidylmethyl)-4H-pyrido[3,2,1-jk]carbazole-4-one
CID 19364891
4-(6-Bromo-4-methoxyindol-1-yl)pyrimidin-2-amine
CID 58221450
4-(6-bromo-4-(2-methoxyethoxy)-1H-indol-1-yl)pyrimidin-2-amine
CID 58221654
1-(2-butylsulfanyl-pyrimidin-4-yl)-4-methoxy-1H-indole-3-carboxylic acid amide
CID 69312052
Methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate
CID 69317005
1-[2-(3,4-Dimethoxyanilino)pyrimidin-4-yl]indole-3-carbaldehyde
CID 139408164

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde?
The IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde (CID 58221493) is 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde.
What is the SMILES notation for 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde?
The canonical SMILES for 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde is COc1cc(Br)cc2c1c(C=O)cn2-c1nc(N)ncc1F.
What is the InChIKey of 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde?
The InChIKey is SHRKCNGFRUUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O2/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/h2-6H,1H3,(H2,17,18,19).
What are the key properties of 1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde?
1-(2-amino-5-fluoropyrimidin-4-yl)-6-bromo-4-methoxyindole-3-carbaldehyde has a molecular weight of 365.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 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-methoxyindole-3-carbaldehyde is sourced from PubChem (CID 58221493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).