6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine

C26H30FN5O2 — CID 156759892

IUPAC6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(-c2cc(NCCn3c(C)cc4c(OC)ccc(F)c43)ncn2)ccc1CNC
InChIInChI=1S/C26H30FN5O2/c1-5-34-24-13-18(6-7-19(24)15-28-3)22-14-25(31-16-30-22)29-10-11-32-17(2)12-20-23(33-4)9-8-21(27)26(20)32/h6-9,12-14,16,28H,5,10-11,15H2,1-4H3,(H,29,30,31)
InChIKeyBZYXMWUHIJLUDF-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.78
Rot. Bonds10

About 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine

6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 156759892) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID156759892
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(-c2cc(NCCn3c(C)cc4c(OC)ccc(F)c43)ncn2)ccc1CNC
InChIInChI=1S/C26H30FN5O2/c1-5-34-24-13-18(6-7-19(24)15-28-3)22-14-25(31-16-30-22)29-10-11-32-17(2)12-20-23(33-4)9-8-21(27)26(20)32/h6-9,12-14,16,28H,5,10-11,15H2,1-4H3,(H,29,30,31)
InChIKeyBZYXMWUHIJLUDF-UHFFFAOYSA-N
XLogP4.78
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
CP-673451
CID 10158940
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
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
6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646051
6-[(6-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646052
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053
5-[(1E)-(butoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646054

Frequently Asked Questions

What is the IUPAC name of 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (CID 156759892) is 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is CCOc1cc(-c2cc(NCCn3c(C)cc4c(OC)ccc(F)c43)ncn2)ccc1CNC.
What is the InChIKey of 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is BZYXMWUHIJLUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-5-34-24-13-18(6-7-19(24)15-28-3)22-14-25(31-16-30-22)29-10-11-32-17(2)12-20-23(33-4)9-8-21(27)26(20)32/h6-9,12-14,16,28H,5,10-11,15H2,1-4H3,(H,29,30,31).
What are the key properties of 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 463.56 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethoxy-4-(methylaminomethyl)phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 156759892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).