8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one

C25H30F3N7O3 — CID 71478803

IUPAC8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one
SMILESO=c1c(C(F)(F)F)nc2c(NCCN3CCOCC3)nc(-c3ccccc3)nc2n1CCN1CCOCC1
InChIInChI=1S/C25H30F3N7O3/c26-25(27,28)20-24(36)35(9-8-34-12-16-38-17-13-34)23-19(30-20)22(29-6-7-33-10-14-37-15-11-33)31-21(32-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,29,31,32)
InChIKeyQXCKCDQXRMWEJB-UHFFFAOYSA-N
MW533.56 g/mol
LogP1.95
Rot. Bonds8

About 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one

8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one (PubChem CID 71478803) has the molecular formula C25H30F3N7O3 and a molecular weight of 533.56 g/mol. Its IUPAC name is 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one.

Molecular Properties

Compound Name8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one
PubChem CID71478803
Molecular FormulaC25H30F3N7O3
Molecular Weight533.56 g/mol
Exact Mass533.24
IUPAC Name8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one
SMILESO=c1c(C(F)(F)F)nc2c(NCCN3CCOCC3)nc(-c3ccccc3)nc2n1CCN1CCOCC1
InChIInChI=1S/C25H30F3N7O3/c26-25(27,28)20-24(36)35(9-8-34-12-16-38-17-13-34)23-19(30-20)22(29-6-7-33-10-14-37-15-11-33)31-21(32-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,29,31,32)
InChIKeyQXCKCDQXRMWEJB-UHFFFAOYSA-N
XLogP1.95
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.56
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one?
The IUPAC name of 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one (CID 71478803) is 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one.
What is the SMILES notation for 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one?
The canonical SMILES for 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one is O=c1c(C(F)(F)F)nc2c(NCCN3CCOCC3)nc(-c3ccccc3)nc2n1CCN1CCOCC1.
What is the InChIKey of 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one?
The InChIKey is QXCKCDQXRMWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O3/c26-25(27,28)20-24(36)35(9-8-34-12-16-38-17-13-34)23-19(30-20)22(29-6-7-33-10-14-37-15-11-33)31-21(32-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,29,31,32).
What are the key properties of 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one?
8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one has a molecular weight of 533.56 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-morpholin-4-ylethyl)-4-(2-morpholin-4-ylethylamino)-2-phenyl-6-(trifluoromethyl)pteridin-7-one is sourced from PubChem (CID 71478803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).