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

C19H16N4O3S — CID 3234424

IUPAC2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)c1
InChIInChI=1S/C19H16N4O3S/c1-25-13-6-3-5-12(9-13)11-23-17-14(10-20-19(22-17)26-2)21-16(18(23)24)15-7-4-8-27-15/h3-10H,11H2,1-2H3
InChIKeyFNIZIGKWJGTDJC-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.98
Rot. Bonds5

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

2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one (PubChem CID 3234424) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
PubChem CID3234424
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)c1
InChIInChI=1S/C19H16N4O3S/c1-25-13-6-3-5-12(9-13)11-23-17-14(10-20-19(22-17)26-2)21-16(18(23)24)15-7-4-8-27-15/h3-10H,11H2,1-2H3
InChIKeyFNIZIGKWJGTDJC-UHFFFAOYSA-N
XLogP2.98
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.98
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
2-(3-methoxyphenyl)-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide
CID 60097359
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-methylpteridin-7-one
CID 3232923
3-[2-(3-Chlorophenoxy)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile
CID 3232974
8-[(3-Methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one
CID 3233009
2-Methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3233022

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one (CID 3234424) is 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one is COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)c1.
What is the InChIKey of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The InChIKey is FNIZIGKWJGTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-25-13-6-3-5-12(9-13)11-23-17-14(10-20-19(22-17)26-2)21-16(18(23)24)15-7-4-8-27-15/h3-10H,11H2,1-2H3.
What are the key properties of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one has a molecular weight of 380.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3234424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).