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

C20H19N5O2S — CID 3232773

IUPAC2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C20H19N5O2S/c1-3-21-20-22-11-15-18(24-20)25(12-13-6-4-7-14(10-13)27-2)19(26)17(23-15)16-8-5-9-28-16/h4-11H,3,12H2,1-2H3,(H,21,22,24)
InChIKeyKONQNTKFJFSELS-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.40
Rot. Bonds6

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

2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one (PubChem CID 3232773) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
PubChem CID3232773
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C20H19N5O2S/c1-3-21-20-22-11-15-18(24-20)25(12-13-6-4-7-14(10-13)27-2)19(26)17(23-15)16-8-5-9-28-16/h4-11H,3,12H2,1-2H3,(H,21,22,24)
InChIKeyKONQNTKFJFSELS-UHFFFAOYSA-N
XLogP3.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
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
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3-methoxyphenyl-)methyl]-2-piperidineacetamide
CID 16115232
N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)thiophene-3-carboxamide
CID 25094198
2-(3-methoxyphenyl)-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide
CID 60097359
2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(thiophen-3-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
CID 156290432
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
8-[(3-Methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one
CID 3232709
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

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one (CID 3232773) is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one is CCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3cccc(OC)c3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The InChIKey is KONQNTKFJFSELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-3-21-20-22-11-15-18(24-20)25(12-13-6-4-7-14(10-13)27-2)19(26)17(23-15)16-8-5-9-28-16/h4-11H,3,12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one has a molecular weight of 393.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3232773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).