6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine

C25H28FN5O3 — CID 153081773

IUPAC6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine
SMILESCc1cc2c(F)c(OC3=CC=NC(Nc4cccc(OCCN5CCOCC5)c4)N3)ccc2[nH]1
InChIInChI=1S/C25H28FN5O3/c1-17-15-20-21(28-17)5-6-22(24(20)26)34-23-7-8-27-25(30-23)29-18-3-2-4-19(16-18)33-14-11-31-9-12-32-13-10-31/h2-8,15-16,25,28-30H,9-14H2,1H3
InChIKeyVNKHTYQDRFCREJ-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.62
Rot. Bonds8

About 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine (PubChem CID 153081773) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine
PubChem CID153081773
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine
SMILESCc1cc2c(F)c(OC3=CC=NC(Nc4cccc(OCCN5CCOCC5)c4)N3)ccc2[nH]1
InChIInChI=1S/C25H28FN5O3/c1-17-15-20-21(28-17)5-6-22(24(20)26)34-23-7-8-27-25(30-23)29-18-3-2-4-19(16-18)33-14-11-31-9-12-32-13-10-31/h2-8,15-16,25,28-30H,9-14H2,1H3
InChIKeyVNKHTYQDRFCREJ-UHFFFAOYSA-N
XLogP3.62
TPSA83.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine?
The IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine (CID 153081773) is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine.
What is the SMILES notation for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine?
The canonical SMILES for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine is Cc1cc2c(F)c(OC3=CC=NC(Nc4cccc(OCCN5CCOCC5)c4)N3)ccc2[nH]1.
What is the InChIKey of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine?
The InChIKey is VNKHTYQDRFCREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-17-15-20-21(28-17)5-6-22(24(20)26)34-23-7-8-27-25(30-23)29-18-3-2-4-19(16-18)33-14-11-31-9-12-32-13-10-31/h2-8,15-16,25,28-30H,9-14H2,1H3.
What are the key properties of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine?
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine has a molecular weight of 465.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine is sourced from PubChem (CID 153081773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).