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

C19H16N4O3S — CID 3232612

IUPAC2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(OC)nc3n(Cc3cccs3)c2=O)cc1
InChIInChI=1S/C19H16N4O3S/c1-25-13-7-5-12(6-8-13)16-18(24)23(11-14-4-3-9-27-14)17-15(21-16)10-20-19(22-17)26-2/h3-10H,11H2,1-2H3
InChIKeyJHDBQQVGAVUIKM-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.98
Rot. Bonds5

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

2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3232612) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3232612
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(OC)nc3n(Cc3cccs3)c2=O)cc1
InChIInChI=1S/C19H16N4O3S/c1-25-13-7-5-12(6-8-13)16-18(24)23(11-14-4-3-9-27-14)17-15(21-16)10-20-19(22-17)26-2/h3-10H,11H2,1-2H3
InChIKeyJHDBQQVGAVUIKM-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-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454941
(2S)-2-[[2-(diethylamino)-5-[ethyl(thiophene-3-carbonyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16122692
(2S)-2-[[2-(diethylamino)-5-[ethyl(thiophene-2-carbonyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16122706
N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)thiophene-3-carboxamide
CID 25094198
N-[6-[(4-methoxybenzoyl)amino]pyridin-3-yl]thiophene-2-carboxamide
CID 1452920
6-(4-Methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232597
2-(Dimethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3232624
8-Cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one
CID 3232662
6-(4-Fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one
CID 3232713
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3232612) is 2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one is COc1ccc(-c2nc3cnc(OC)nc3n(Cc3cccs3)c2=O)cc1.
What is the InChIKey of 2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is JHDBQQVGAVUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-25-13-7-5-12(6-8-13)16-18(24)23(11-14-4-3-9-27-14)17-15(21-16)10-20-19(22-17)26-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-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-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3232612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).