8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one

C21H18FN5O2S — CID 3232993

IUPAC8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C21H18FN5O2S/c22-15-5-3-14(4-6-15)13-27-19-16(24-18(20(27)28)17-2-1-11-30-17)12-23-21(25-19)26-7-9-29-10-8-26/h1-6,11-12H,7-10,13H2
InChIKeyIWQWULDHCYTZAJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.94
Rot. Bonds4

About 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one

8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3232993) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
PubChem CID3232993
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C21H18FN5O2S/c22-15-5-3-14(4-6-15)13-27-19-16(24-18(20(27)28)17-2-1-11-30-17)12-23-21(25-19)26-7-9-29-10-8-26/h1-6,11-12H,7-10,13H2
InChIKeyIWQWULDHCYTZAJ-UHFFFAOYSA-N
XLogP2.94
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one (CID 3232993) is 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one is O=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is IWQWULDHCYTZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c22-15-5-3-14(4-6-15)13-27-19-16(24-18(20(27)28)17-2-1-11-30-17)12-23-21(25-19)26-7-9-29-10-8-26/h1-6,11-12H,7-10,13H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 423.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3232993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).