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

C13H19N5O2 — CID 175856170

IUPAC2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione
SMILESCC1C(=O)N(C)c2c(nc(N)[nH]c2=O)N1C1CCCC1
InChIInChI=1S/C13H19N5O2/c1-7-12(20)17(2)9-10(15-13(14)16-11(9)19)18(7)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H3,14,15,16,19)
InChIKeyKFJLUKAJWJYBOW-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.47
Rot. Bonds1

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

2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione (PubChem CID 175856170) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione
PubChem CID175856170
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione
SMILESCC1C(=O)N(C)c2c(nc(N)[nH]c2=O)N1C1CCCC1
InChIInChI=1S/C13H19N5O2/c1-7-12(20)17(2)9-10(15-13(14)16-11(9)19)18(7)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H3,14,15,16,19)
InChIKeyKFJLUKAJWJYBOW-UHFFFAOYSA-N
XLogP0.47
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione?
The IUPAC name of 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione (CID 175856170) is 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione.
What is the SMILES notation for 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione?
The canonical SMILES for 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione is CC1C(=O)N(C)c2c(nc(N)[nH]c2=O)N1C1CCCC1.
What is the InChIKey of 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione?
The InChIKey is KFJLUKAJWJYBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-7-12(20)17(2)9-10(15-13(14)16-11(9)19)18(7)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H3,14,15,16,19).
What are the key properties of 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione?
2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione has a molecular weight of 277.33 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione is sourced from PubChem (CID 175856170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).