8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one

C21H24N4O2 — CID 123541097

IUPAC8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one
SMILESCCC1C(=O)Nc2cnc(C(=O)Cc3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C21H24N4O2/c1-2-17-21(27)23-16-13-22-19(18(26)12-14-8-4-3-5-9-14)24-20(16)25(17)15-10-6-7-11-15/h3-5,8-9,13,15,17H,2,6-7,10-12H2,1H3,(H,23,27)
InChIKeyZWQSKPIGIVRWOJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.38
Rot. Bonds5

About 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one

8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one (PubChem CID 123541097) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one
PubChem CID123541097
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one
SMILESCCC1C(=O)Nc2cnc(C(=O)Cc3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C21H24N4O2/c1-2-17-21(27)23-16-13-22-19(18(26)12-14-8-4-3-5-9-14)24-20(16)25(17)15-10-6-7-11-15/h3-5,8-9,13,15,17H,2,6-7,10-12H2,1H3,(H,23,27)
InChIKeyZWQSKPIGIVRWOJ-UHFFFAOYSA-N
XLogP3.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one
CID 71603032
(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one
CID 146195195
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
(3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 129237808
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405488
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
CID 67261404
3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide
CID 118618107
N-[(4R)-1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 41062638
(4R)-2-benzyl-5-cyclopentyl-4-ethyl-1,4-dihydro-[1,2,4]triazolo[4,3-f]pteridine
CID 141194013
4-(2-benzylsulfanylacetyl)-3-ethylpiperazine-2,6-dione
CID 66068319

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one?
The IUPAC name of 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one (CID 123541097) is 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one?
The canonical SMILES for 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one is CCC1C(=O)Nc2cnc(C(=O)Cc3ccccc3)nc2N1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one?
The InChIKey is ZWQSKPIGIVRWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-17-21(27)23-16-13-22-19(18(26)12-14-8-4-3-5-9-14)24-20(16)25(17)15-10-6-7-11-15/h3-5,8-9,13,15,17H,2,6-7,10-12H2,1H3,(H,23,27).
What are the key properties of 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one?
8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one has a molecular weight of 364.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one is sourced from PubChem (CID 123541097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).