6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one

C25H25N5O4 — CID 3234621

IUPAC6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(Cc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C25H25N5O4/c1-32-19-8-6-18(7-9-19)22-24(31)30(16-17-4-3-5-20(14-17)33-2)23-21(27-22)15-26-25(28-23)29-10-12-34-13-11-29/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyREPOWFBDBMKKKM-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.76
Rot. Bonds6

About 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one

6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one (PubChem CID 3234621) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
PubChem CID3234621
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(Cc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C25H25N5O4/c1-32-19-8-6-18(7-9-19)22-24(31)30(16-17-4-3-5-20(14-17)33-2)23-21(27-22)15-26-25(28-23)29-10-12-34-13-11-29/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyREPOWFBDBMKKKM-UHFFFAOYSA-N
XLogP2.76
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

p-(18F)MPPF
CID 5352127
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
N-[3-[6-(2-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 166625820
3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 3238602
[4-(4-Methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950864
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3-methoxyphenyl-)methyl]-2-piperidineacetamide
CID 16115232
N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24831013
N-[2-[2-[(4-chloro-3-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094272
N-[2-[2-[(3-chloro-4-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094313
N-[3-[[2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
CID 118352096
N-[3-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
CID 118352217

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one (CID 3234621) is 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one is COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(Cc3cccc(OC)c3)c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The InChIKey is REPOWFBDBMKKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-32-19-8-6-18(7-9-19)22-24(31)30(16-17-4-3-5-20(14-17)33-2)23-21(27-22)15-26-25(28-23)29-10-12-34-13-11-29/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one has a molecular weight of 459.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3234621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).