6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine

C52H50F3N19O5S — CID 87727008

IUPAC6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.Nc1nc(N2CCOCC2)c2nc(-c3ccc(C(F)(F)F)cc3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3ccc4[nH]ccc4c3)cnc2n1
InChIInChI=1S/C18H17N7O.C17H15F3N6O.C17H18N6O3S/c19-18-23-16-15(17(24-18)25-5-7-26-8-6-25)22-14(10-21-16)11-1-2-13-12(9-11)3-4-20-13;18-17(19,20)11-3-1-10(2-4-11)12-9-22-14-13(23-12)15(25-16(21)24-14)26-5-7-27-8-6-26;1-27(24,25)12-4-2-11(3-5-12)13-10-19-15-14(20-13)16(22-17(18)21-15)23-6-8-26-9-7-23/h1-4,9-10,20H,5-8H2,(H2,19,21,23,24);1-4,9H,5-8H2,(H2,21,22,24,25);2-5,10H,6-9H2,1H3,(H2,18,19,21,22)
InChIKeyVRAZLAAWHLWXEG-UHFFFAOYSA-N
MW1110.16 g/mol
LogP5.42
Rot. Bonds7

About 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine

6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine (PubChem CID 87727008) has the molecular formula C52H50F3N19O5S and a molecular weight of 1110.16 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
PubChem CID87727008
Molecular FormulaC52H50F3N19O5S
Molecular Weight1110.16 g/mol
Exact Mass1109.39
IUPAC Name6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.Nc1nc(N2CCOCC2)c2nc(-c3ccc(C(F)(F)F)cc3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3ccc4[nH]ccc4c3)cnc2n1
InChIInChI=1S/C18H17N7O.C17H15F3N6O.C17H18N6O3S/c19-18-23-16-15(17(24-18)25-5-7-26-8-6-25)22-14(10-21-16)11-1-2-13-12(9-11)3-4-20-13;18-17(19,20)11-3-1-10(2-4-11)12-9-22-14-13(23-12)15(25-16(21)24-14)26-5-7-27-8-6-26;1-27(24,25)12-4-2-11(3-5-12)13-10-19-15-14(20-13)16(22-17(18)21-15)23-6-8-26-9-7-23/h1-4,9-10,20H,5-8H2,(H2,19,21,23,24);1-4,9H,5-8H2,(H2,21,22,24,25);2-5,10H,6-9H2,1H3,(H2,18,19,21,22)
InChIKeyVRAZLAAWHLWXEG-UHFFFAOYSA-N
XLogP5.42
TPSA320.08 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001110.16
LogP ≤ 55.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The IUPAC name of 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine (CID 87727008) is 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine.
What is the SMILES notation for 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The canonical SMILES for 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.Nc1nc(N2CCOCC2)c2nc(-c3ccc(C(F)(F)F)cc3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3ccc4[nH]ccc4c3)cnc2n1.
What is the InChIKey of 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The InChIKey is VRAZLAAWHLWXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O.C17H15F3N6O.C17H18N6O3S/c19-18-23-16-15(17(24-18)25-5-7-26-8-6-25)22-14(10-21-16)11-1-2-13-12(9-11)3-4-20-13;18-17(19,20)11-3-1-10(2-4-11)12-9-22-14-13(23-12)15(25-16(21)24-14)26-5-7-27-8-6-26;1-27(24,25)12-4-2-11(3-5-12)13-10-19-15-14(20-13)16(22-17(18)21-15)23-6-8-26-9-7-23/h1-4,9-10,20H,5-8H2,(H2,19,21,23,24);1-4,9H,5-8H2,(H2,21,22,24,25);2-5,10H,6-9H2,1H3,(H2,18,19,21,22).
What are the key properties of 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine has a molecular weight of 1110.16 g/mol, XLogP of 5.42, 7 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine is sourced from PubChem (CID 87727008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).