6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

C22H21N5O3S — CID 3234928

IUPAC6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(Cc3cccs3)c2=O)cc1
InChIInChI=1S/C22H21N5O3S/c1-29-16-6-4-15(5-7-16)19-21(28)27(14-17-3-2-12-31-17)20-18(24-19)13-23-22(25-20)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14H2,1H3
InChIKeyCYOBABHDMPKIGL-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.81
Rot. Bonds5

About 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3234928) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3234928
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(Cc3cccs3)c2=O)cc1
InChIInChI=1S/C22H21N5O3S/c1-29-16-6-4-15(5-7-16)19-21(28)27(14-17-3-2-12-31-17)20-18(24-19)13-23-22(25-20)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14H2,1H3
InChIKeyCYOBABHDMPKIGL-UHFFFAOYSA-N
XLogP2.81
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3234928) is 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(Cc3cccs3)c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is CYOBABHDMPKIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-29-16-6-4-15(5-7-16)19-21(28)27(14-17-3-2-12-31-17)20-18(24-19)13-23-22(25-20)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 435.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3234928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).