8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one

C25H20N4O3S — CID 3233009

IUPAC8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OCc4ccccc4)nc32)c1
InChIInChI=1S/C25H20N4O3S/c1-31-19-10-5-9-18(13-19)15-29-23-20(27-22(24(29)30)21-11-6-12-33-21)14-26-25(28-23)32-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyOOWBRLADWOCIJS-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.55
Rot. Bonds7

About 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one

8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233009) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one
PubChem CID3233009
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OCc4ccccc4)nc32)c1
InChIInChI=1S/C25H20N4O3S/c1-31-19-10-5-9-18(13-19)15-29-23-20(27-22(24(29)30)21-11-6-12-33-21)14-26-25(28-23)32-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyOOWBRLADWOCIJS-UHFFFAOYSA-N
XLogP4.55
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrido[2,3-d]pyrimidin-7-one deriv. 29
CID 5328642
6-(4-Methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232597
2-Methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232612
2-(Dimethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3232624
2-(3-Chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3232765
2-(Ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
CID 3232773
6-Methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232833
2-Methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3233022
8-[(3-Methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
CID 3233126
2-Anilino-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233141
6-(3,4-Difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
CID 3233177
8-[(3-Methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
CID 3233250

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one (CID 3233009) is 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one is COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OCc4ccccc4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one?
The InChIKey is OOWBRLADWOCIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-31-19-10-5-9-18(13-19)15-29-23-20(27-22(24(29)30)21-11-6-12-33-21)14-26-25(28-23)32-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one?
8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one has a molecular weight of 456.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).