6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine

C20H23FN6O3 — CID 23646062

IUPAC6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(N)c3/C=N/OCCN3CCOCC3)ccc2[nH]1
InChIInChI=1S/C20H23FN6O3/c1-13-10-14-16(26-13)2-3-17(18(14)21)30-20-15(19(22)23-12-24-20)11-25-29-9-6-27-4-7-28-8-5-27/h2-3,10-12,26H,4-9H2,1H3,(H2,22,23,24)/b25-11+
InChIKeyQZTBTAQOCQKRRB-OPEKNORGSA-N
MW414.44 g/mol
LogP2.46
Rot. Bonds7

About 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine (PubChem CID 23646062) has the molecular formula C20H23FN6O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine
PubChem CID23646062
Molecular FormulaC20H23FN6O3
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(N)c3/C=N/OCCN3CCOCC3)ccc2[nH]1
InChIInChI=1S/C20H23FN6O3/c1-13-10-14-16(26-13)2-3-17(18(14)21)30-20-15(19(22)23-12-24-20)11-25-29-9-6-27-4-7-28-8-5-27/h2-3,10-12,26H,4-9H2,1H3,(H2,22,23,24)/b25-11+
InChIKeyQZTBTAQOCQKRRB-OPEKNORGSA-N
XLogP2.46
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Cediranib
CID 9933475
Surufatinib
CID 52920501
MLi-2
CID 78319901
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine (CID 23646062) is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3ncnc(N)c3/C=N/OCCN3CCOCC3)ccc2[nH]1.
What is the InChIKey of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is QZTBTAQOCQKRRB-OPEKNORGSA-N. The full InChI is InChI=1S/C20H23FN6O3/c1-13-10-14-16(26-13)2-3-17(18(14)21)30-20-15(19(22)23-12-24-20)11-25-29-9-6-27-4-7-28-8-5-27/h2-3,10-12,26H,4-9H2,1H3,(H2,22,23,24)/b25-11+.
What are the key properties of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine?
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 414.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 23646062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).