6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C21H22FN5O3 — CID 3234605

IUPAC6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESO=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C21H22FN5O3/c22-15-5-3-14(4-6-15)18-20(28)27(13-16-2-1-9-30-16)19-17(24-18)12-23-21(25-19)26-7-10-29-11-8-26/h3-6,12,16H,1-2,7-11,13H2/t16-/m1/s1
InChIKeyVLGZIOCSTOWUFA-MRXNPFEDSA-N
MW411.44 g/mol
LogP2.01
Rot. Bonds4

About 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3234605) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3234605
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESO=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C21H22FN5O3/c22-15-5-3-14(4-6-15)18-20(28)27(13-16-2-1-9-30-16)19-17(24-18)12-23-21(25-19)26-7-10-29-11-8-26/h3-6,12,16H,1-2,7-11,13H2/t16-/m1/s1
InChIKeyVLGZIOCSTOWUFA-MRXNPFEDSA-N
XLogP2.01
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one with MolForge

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Related Compounds

6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233955
2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3232699
2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233717
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233794
6-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233264
8-cyclopropyl-2-morpholin-4-yl-6-phenylpteridin-7-one
CID 3234043
6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3234928
2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233418
3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
CID 94181113
6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 110491161
2-(4-methoxyphenoxy)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234609
6,8-dimethyl-2-morpholin-4-ylpteridin-7-one
CID 3234245

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3234605) is 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1.
What is the InChIKey of 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is VLGZIOCSTOWUFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22FN5O3/c22-15-5-3-14(4-6-15)18-20(28)27(13-16-2-1-9-30-16)19-17(24-18)12-23-21(25-19)26-7-10-29-11-8-26/h3-6,12,16H,1-2,7-11,13H2/t16-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 411.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3234605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).