2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione

C14H21N5O2 — CID 175856134

IUPAC2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione
SMILESCCC1C(=O)N(C)c2c(nc(N)[nH]c2=O)N1C1CCCC1
InChIInChI=1S/C14H21N5O2/c1-3-9-13(21)18(2)10-11(16-14(15)17-12(10)20)19(9)8-6-4-5-7-8/h8-9H,3-7H2,1-2H3,(H3,15,16,17,20)
InChIKeyYSNXLFOHBWHIOJ-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.86
Rot. Bonds2

About 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione

2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione (PubChem CID 175856134) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione
PubChem CID175856134
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione
SMILESCCC1C(=O)N(C)c2c(nc(N)[nH]c2=O)N1C1CCCC1
InChIInChI=1S/C14H21N5O2/c1-3-9-13(21)18(2)10-11(16-14(15)17-12(10)20)19(9)8-6-4-5-7-8/h8-9H,3-7H2,1-2H3,(H3,15,16,17,20)
InChIKeyYSNXLFOHBWHIOJ-UHFFFAOYSA-N
XLogP0.86
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pepteridine A
CID 146684612
2-Amino-9-hexyl-1,7-dihydropurine-6,8-dione
CID 135415605
2-amino-9-hexyl-7-methyl-1H-purine-6,8-dione
CID 135415606
2-amino-8-cyclopentyl-6-(2,2-difluoroethylamino)-3H-pteridine-4,7-dione
CID 175788875
7-[5-(Dimethylamino)hexyl]-3,7-dimethylpurin-7-ium-2,6-dione
CID 54272657
9-Cyclopentyl-1-propyl-7,8-dihydropurin-6-one
CID 67194830
9-(1-Propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 135971554
3-Amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione
CID 135991969
2-Amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one
CID 137287178
2-Amino-9-pentyl-1,7-dihydropurine-6,8-dione
CID 155214720
2-Amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione
CID 175788880
(2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione
CID 175856145

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione?
The IUPAC name of 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione (CID 175856134) is 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione.
What is the SMILES notation for 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione?
The canonical SMILES for 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione is CCC1C(=O)N(C)c2c(nc(N)[nH]c2=O)N1C1CCCC1.
What is the InChIKey of 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione?
The InChIKey is YSNXLFOHBWHIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-9-13(21)18(2)10-11(16-14(15)17-12(10)20)19(9)8-6-4-5-7-8/h8-9H,3-7H2,1-2H3,(H3,15,16,17,20).
What are the key properties of 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione?
2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione has a molecular weight of 291.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione is sourced from PubChem (CID 175856134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).