2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one

C19H17N5O2S — CID 3233741

IUPAC2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C19H17N5O2S/c1-3-20-19-21-11-14-17(23-19)24(12-6-8-13(26-2)9-7-12)18(25)16(22-14)15-5-4-10-27-15/h4-11H,3H2,1-2H3,(H,20,21,23)
InChIKeyRKQQJQHHURTOTK-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.34
Rot. Bonds5

About 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one

2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233741) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
PubChem CID3233741
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C19H17N5O2S/c1-3-20-19-21-11-14-17(23-19)24(12-6-8-13(26-2)9-7-12)18(25)16(22-14)15-5-4-10-27-15/h4-11H,3H2,1-2H3,(H,20,21,23)
InChIKeyRKQQJQHHURTOTK-UHFFFAOYSA-N
XLogP3.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.34
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-Aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one
CID 72202866
N-[3-[2-(4-methoxyanilino)-7-oxopteridin-8-yl]phenyl]propanamide
CID 72203002
8-(4-Aminophenyl)-2-(4-methoxyanilino)pteridin-7-one
CID 72712977
8-(3-Aminophenyl)-2-(4-methoxyanilino)pteridin-7-one
CID 72712978
2-(3-Aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one
CID 72712979
N-[4-[2-(4-methoxyanilino)-7-oxopteridin-8-yl]phenyl]propanamide
CID 72713173
N-[4-[2-(4-methoxyanilino)-7-oxopteridin-8-yl]phenyl]acetamide
CID 145360613
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-(3-Chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3232765

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one (CID 3233741) is 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one is CCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one?
The InChIKey is RKQQJQHHURTOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-3-20-19-21-11-14-17(23-19)24(12-6-8-13(26-2)9-7-12)18(25)16(22-14)15-5-4-10-27-15/h4-11H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one?
2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one has a molecular weight of 379.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).