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

C21H19N5O3S — CID 3233814

IUPAC8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C21H19N5O3S/c1-28-15-6-4-14(5-7-15)26-19-16(23-18(20(26)27)17-3-2-12-30-17)13-22-21(24-19)25-8-10-29-11-9-25/h2-7,12-13H,8-11H2,1H3
InChIKeyCQCAVFDLBKHUFL-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.75
Rot. Bonds4

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

8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233814) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
PubChem CID3233814
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C21H19N5O3S/c1-28-15-6-4-14(5-7-15)26-19-16(23-18(20(26)27)17-3-2-12-30-17)13-22-21(24-19)25-8-10-29-11-9-25/h2-7,12-13H,8-11H2,1H3
InChIKeyCQCAVFDLBKHUFL-UHFFFAOYSA-N
XLogP2.75
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3234928
3-[2-(4-methylpiperazin-1-yl)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile
CID 3232700
8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232627
8-cyclopropyl-2-morpholin-4-yl-6-phenylpteridin-7-one
CID 3234043
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
2-methoxy-6-(4-methoxyphenyl)-8-phenylpteridin-7-one
CID 3234042
6,8-dimethyl-2-morpholin-4-ylpteridin-7-one
CID 3234245
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934
4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine
CID 11836171
6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one
CID 3233487
8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
CID 3234627
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one (CID 3233814) is 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one is COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is CQCAVFDLBKHUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-28-15-6-4-14(5-7-15)26-19-16(23-18(20(26)27)17-3-2-12-30-17)13-22-21(24-19)25-8-10-29-11-9-25/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 421.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).