4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine

C15H15BrN4O2 — CID 58221654

IUPAC4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine
SMILESCOCCOc1cc(Br)cc2c1ccn2-c1ccnc(N)n1
InChIInChI=1S/C15H15BrN4O2/c1-21-6-7-22-13-9-10(16)8-12-11(13)3-5-20(12)14-2-4-18-15(17)19-14/h2-5,8-9H,6-7H2,1H3,(H2,17,18,19)
InChIKeyYDWMIQPSZNSZEP-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.79
Rot. Bonds5

About 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine

4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine (PubChem CID 58221654) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine
PubChem CID58221654
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine
SMILESCOCCOc1cc(Br)cc2c1ccn2-c1ccnc(N)n1
InChIInChI=1S/C15H15BrN4O2/c1-21-6-7-22-13-9-10(16)8-12-11(13)3-5-20(12)14-2-4-18-15(17)19-14/h2-5,8-9H,6-7H2,1H3,(H2,17,18,19)
InChIKeyYDWMIQPSZNSZEP-UHFFFAOYSA-N
XLogP2.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol
CID 10380356
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine
CID 90654497
2-[4-[6-(Aminomethyl)pyrimidin-4-yl]oxyindol-1-yl]ethanol
CID 124174679
[6-[1-(Oxetan-3-yl)indol-4-yl]oxypyrimidin-4-yl]methanamine
CID 124174695
Acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine
CID 135185961
[6-(1-Benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride
CID 135185994
(2R,3S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(4-amino-2-methylquinolin-7-yl)oxymethyl]oxolan-3-ol
CID 156327026
7-[[3-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methoxy]-N-methylquinolin-2-amine
CID 166039047
4-(6-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
CID 53362322
7-[[5-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-3-bromoquinolin-2-amine
CID 156304150
4-(4-Phenylmethoxy-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 68384946

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine (CID 58221654) is 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine is COCCOc1cc(Br)cc2c1ccn2-c1ccnc(N)n1.
What is the InChIKey of 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine?
The InChIKey is YDWMIQPSZNSZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c1-21-6-7-22-13-9-10(16)8-12-11(13)3-5-20(12)14-2-4-18-15(17)19-14/h2-5,8-9H,6-7H2,1H3,(H2,17,18,19).
What are the key properties of 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine?
4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine has a molecular weight of 363.22 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-4-(2-methoxyethoxy)indol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 58221654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).