2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one

C20H19N5OS — CID 3233413

IUPAC2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C20H19N5OS/c1-2-21-20-22-13-15-18(24-20)25(11-10-14-7-4-3-5-8-14)19(26)17(23-15)16-9-6-12-27-16/h3-9,12-13H,2,10-11H2,1H3,(H,21,22,24)
InChIKeyGIAMVRDVQAQVCG-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.59
Rot. Bonds6

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

2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233413) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one
PubChem CID3233413
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C20H19N5OS/c1-2-21-20-22-13-15-18(24-20)25(11-10-14-7-4-3-5-8-14)19(26)17(23-15)16-9-6-12-27-16/h3-9,12-13H,2,10-11H2,1H3,(H,21,22,24)
InChIKeyGIAMVRDVQAQVCG-UHFFFAOYSA-N
XLogP3.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
N-[3-[[5-cyclopropyl-2-(2-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide
CID 44462961
N-(2-aminophenyl)-4-((4-(thiophen-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570892
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzo[b]thiophene-3-carboxamide
CID 46886502
2-Amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 56678999
N-[3-[[5-cyclopropyl-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide
CID 59225366
N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 151422375
N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-5-thiophen-2-ylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 155415499

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one (CID 3233413) is 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one is CCNc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one?
The InChIKey is GIAMVRDVQAQVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-2-21-20-22-13-15-18(24-20)25(11-10-14-7-4-3-5-8-14)19(26)17(23-15)16-9-6-12-27-16/h3-9,12-13H,2,10-11H2,1H3,(H,21,22,24).
What are the key properties of 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one?
2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one has a molecular weight of 377.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).