4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine

C25H25FN4O3 — CID 59823226

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
SMILESCc1cc2c(F)c(Oc3ccnc(Nc4cccc(OCC5CCOCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C25H25FN4O3/c1-16-13-20-21(28-16)5-6-22(24(20)26)33-23-7-10-27-25(30-23)29-18-3-2-4-19(14-18)32-15-17-8-11-31-12-9-17/h2-7,10,13-14,17,28H,8-9,11-12,15H2,1H3,(H,27,29,30)
InChIKeyIBAXUKWECQHYPM-UHFFFAOYSA-N
MW448.50 g/mol
LogP5.75
Rot. Bonds7

About 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine (PubChem CID 59823226) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
PubChem CID59823226
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
SMILESCc1cc2c(F)c(Oc3ccnc(Nc4cccc(OCC5CCOCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C25H25FN4O3/c1-16-13-20-21(28-16)5-6-22(24(20)26)33-23-7-10-27-25(30-23)29-18-3-2-4-19(14-18)32-15-17-8-11-31-12-9-17/h2-7,10,13-14,17,28H,8-9,11-12,15H2,1H3,(H,27,29,30)
InChIKeyIBAXUKWECQHYPM-UHFFFAOYSA-N
XLogP5.75
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.50
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine 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-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine
CID 71201555
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrimidin-2-amine
CID 59823290
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-[(3R)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine
CID 59823335
1,1,1-trifluoro-N-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 71057264
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-1,2-dihydropyrimidin-2-amine
CID 153081773
4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine
CID 59823204
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol
CID 59823282
6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57394499
[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonic acid
CID 89427711
N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-hydroxybutan-1-one;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-fluoro-2-methyl-5-[2-[[3-(oxan-4-ylmethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 158162317
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine;1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158008900
3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol
CID 158005298

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine (CID 59823226) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine is Cc1cc2c(F)c(Oc3ccnc(Nc4cccc(OCC5CCOCC5)c4)n3)ccc2[nH]1.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is IBAXUKWECQHYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-16-13-20-21(28-16)5-6-22(24(20)26)33-23-7-10-27-25(30-23)29-18-3-2-4-19(14-18)32-15-17-8-11-31-12-9-17/h2-7,10,13-14,17,28H,8-9,11-12,15H2,1H3,(H,27,29,30).
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 448.50 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 59823226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).