2-amino-8-cyclopentyl-3H-pteridine-4,7-dione

C11H13N5O2 — CID 175977941

IUPAC2-amino-8-cyclopentyl-3H-pteridine-4,7-dione
SMILESNc1nc2c(ncc(=O)n2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-7(17)16(9)6-3-1-2-4-6/h5-6H,1-4H2,(H3,12,14,15,18)
InChIKeyZASMWSIHCYQWIM-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.18
Rot. Bonds1

About 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione

2-amino-8-cyclopentyl-3H-pteridine-4,7-dione (PubChem CID 175977941) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-8-cyclopentyl-3H-pteridine-4,7-dione
PubChem CID175977941
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-amino-8-cyclopentyl-3H-pteridine-4,7-dione
SMILESNc1nc2c(ncc(=O)n2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-7(17)16(9)6-3-1-2-4-6/h5-6H,1-4H2,(H3,12,14,15,18)
InChIKeyZASMWSIHCYQWIM-UHFFFAOYSA-N
XLogP0.18
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
2-amino-8-cyclopentyl-6-(2,2-difluoroethylamino)-3H-pteridine-4,7-dione
CID 175788875
2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-1H-purin-6-one
CID 135625260
2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one
CID 137213095
2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 136880790
2-amino-8-bromo-9-(oxolan-2-yl)-1H-purin-6-one
CID 137316308
2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one
CID 135565717
2-amino-9-cyclohex-2-en-1-yl-1H-purin-6-one
CID 136682612
2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one
CID 139640968
2-amino-9-[5-(1,2-dihydroxyethyl)oxolan-2-yl]-1H-purin-6-one
CID 139569790
8-cyclopentyl-1H-pteridine-2,7-dione
CID 162383725

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione?
The IUPAC name of 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione (CID 175977941) is 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione is Nc1nc2c(ncc(=O)n2C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione?
The InChIKey is ZASMWSIHCYQWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-7(17)16(9)6-3-1-2-4-6/h5-6H,1-4H2,(H3,12,14,15,18).
What are the key properties of 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione?
2-amino-8-cyclopentyl-3H-pteridine-4,7-dione has a molecular weight of 247.26 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentyl-3H-pteridine-4,7-dione is sourced from PubChem (CID 175977941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).