4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine

C24H23F3N6O — CID 25109300

IUPAC4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2cc(N3CCOCC3)nc(NCCc3cccnc3)n2)c2cc[nH]c2c1
InChIInChI=1S/C24H23F3N6O/c25-24(26,27)17-12-19(18-4-7-29-20(18)13-17)21-14-22(33-8-10-34-11-9-33)32-23(31-21)30-6-3-16-2-1-5-28-15-16/h1-2,4-5,7,12-15,29H,3,6,8-11H2,(H,30,31,32)
InChIKeyBSNZXNDLUOGQDM-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.53
Rot. Bonds6

About 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine

4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine (PubChem CID 25109300) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine
PubChem CID25109300
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2cc(N3CCOCC3)nc(NCCc3cccnc3)n2)c2cc[nH]c2c1
InChIInChI=1S/C24H23F3N6O/c25-24(26,27)17-12-19(18-4-7-29-20(18)13-17)21-14-22(33-8-10-34-11-9-33)32-23(31-21)30-6-3-16-2-1-5-28-15-16/h1-2,4-5,7,12-15,29H,3,6,8-11H2,(H,30,31,32)
InChIKeyBSNZXNDLUOGQDM-UHFFFAOYSA-N
XLogP4.53
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-aza-7λ4-tungstabicyclo[3.3.0]octa-1(5),3,6,7-tetraen-6-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 145493366
4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine
CID 25097394
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508140
4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 25109544
4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide
CID 25098500
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508294
N-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 25097952
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 25097953
4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine
CID 141193519
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine (CID 25109300) is 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine is FC(F)(F)c1cc(-c2cc(N3CCOCC3)nc(NCCc3cccnc3)n2)c2cc[nH]c2c1.
What is the InChIKey of 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine?
The InChIKey is BSNZXNDLUOGQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c25-24(26,27)17-12-19(18-4-7-29-20(18)13-17)21-14-22(33-8-10-34-11-9-33)32-23(31-21)30-6-3-16-2-1-5-28-15-16/h1-2,4-5,7,12-15,29H,3,6,8-11H2,(H,30,31,32).
What are the key properties of 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine?
4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine has a molecular weight of 468.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 25109300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).