1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione

C13H19N5O2 — CID 61369080

IUPAC1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]c(NC3(C)CCCC3)nc2n(C)c1=O
InChIInChI=1S/C13H19N5O2/c1-13(6-4-5-7-13)16-11-14-8-9(15-11)17(2)12(20)18(3)10(8)19/h4-7H2,1-3H3,(H2,14,15,16)
InChIKeyNFMGNKPLSTUAIK-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.70
Rot. Bonds2

About 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione

1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione (PubChem CID 61369080) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione
PubChem CID61369080
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]c(NC3(C)CCCC3)nc2n(C)c1=O
InChIInChI=1S/C13H19N5O2/c1-13(6-4-5-7-13)16-11-14-8-9(15-11)17(2)12(20)18(3)10(8)19/h4-7H2,1-3H3,(H2,14,15,16)
InChIKeyNFMGNKPLSTUAIK-UHFFFAOYSA-N
XLogP0.70
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione (CID 61369080) is 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione is Cn1c(=O)c2[nH]c(NC3(C)CCCC3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione?
The InChIKey is NFMGNKPLSTUAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-13(6-4-5-7-13)16-11-14-8-9(15-11)17(2)12(20)18(3)10(8)19/h4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione?
1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione has a molecular weight of 277.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione is sourced from PubChem (CID 61369080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).