6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one

C24H22FN5O2 — CID 3232636

IUPAC6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1
InChIInChI=1S/C24H22FN5O2/c25-19-8-6-18(7-9-19)21-23(31)30(11-10-17-4-2-1-3-5-17)22-20(27-21)16-26-24(28-22)29-12-14-32-15-13-29/h1-9,16H,10-15H2
InChIKeyJLUUSKMNVVFFMQ-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.07
Rot. Bonds5

About 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one

6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one (PubChem CID 3232636) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one
PubChem CID3232636
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1
InChIInChI=1S/C24H22FN5O2/c25-19-8-6-18(7-9-19)21-23(31)30(11-10-17-4-2-1-3-5-17)22-20(27-21)16-26-24(28-22)29-12-14-32-15-13-29/h1-9,16H,10-15H2
InChIKeyJLUUSKMNVVFFMQ-UHFFFAOYSA-N
XLogP3.07
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-Cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one
CID 3233318
8-Cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one
CID 3232671
2-Methoxy-6,8-bis(2-phenylethyl)pteridin-7-one
CID 3232682
8-Benzyl-6-phenylpteridin-7-one
CID 3232694
6-(3,4-Difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one
CID 3232695
8-Cyclopropyl-6-(2-phenylethyl)pteridin-7-one
CID 3232696
8-Cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one
CID 3232697
2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3232699
8-(2-Phenylethyl)-2-piperazin-1-ylpteridin-7-one
CID 3232739
6-(4-Fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3232759
2-(Ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one
CID 3232777
6-(4-Fluorophenyl)-8-methylpteridin-7-one
CID 3232821

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one (CID 3232636) is 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one is O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one?
The InChIKey is JLUUSKMNVVFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-19-8-6-18(7-9-19)21-23(31)30(11-10-17-4-2-1-3-5-17)22-20(27-21)16-26-24(28-22)29-12-14-32-15-13-29/h1-9,16H,10-15H2.
What are the key properties of 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one?
6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one has a molecular weight of 431.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3232636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).