8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione

C13H20N6O2 — CID 154864923

IUPAC8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione
SMILESCn1c(N[C@@H]2CCC[C@H]2CN)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C13H20N6O2/c1-18-9-10(19(2)13(21)17-11(9)20)16-12(18)15-8-5-3-4-7(8)6-14/h7-8H,3-6,14H2,1-2H3,(H,15,16)(H,17,20,21)/t7-,8+/m0/s1
InChIKeyNVCFOQKVLDBRAR-JGVFFNPUSA-N
MW292.34 g/mol
LogP-0.50
Rot. Bonds3

About 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione

8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione (PubChem CID 154864923) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione
PubChem CID154864923
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione
SMILESCn1c(N[C@@H]2CCC[C@H]2CN)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C13H20N6O2/c1-18-9-10(19(2)13(21)17-11(9)20)16-12(18)15-8-5-3-4-7(8)6-14/h7-8H,3-6,14H2,1-2H3,(H,15,16)(H,17,20,21)/t7-,8+/m0/s1
InChIKeyNVCFOQKVLDBRAR-JGVFFNPUSA-N
XLogP-0.50
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione with MolForge

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Related Compounds

8-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]-3,7-dimethylpurine-2,6-dione
CID 122559941
2-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 5136088
8-[(1-acetylpiperidin-3-yl)amino]-3,7-dimethylpurine-2,6-dione
CID 122566965
3,7-dimethyl-8-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]purine-2,6-dione
CID 95313494
3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione
CID 97075217
8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione
CID 56799940
8-(benzylamino)-3,7-dimethylpurine-2,6-dione
CID 677712
8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione
CID 146131202
N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 657449
8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464051
3,7-dimethyl-8-[(4-propyl-1,2,4-triazol-3-yl)methylamino]purine-2,6-dione
CID 134699914
8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 82464133

Frequently Asked Questions

What is the IUPAC name of 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione (CID 154864923) is 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione is Cn1c(N[C@@H]2CCC[C@H]2CN)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione?
The InChIKey is NVCFOQKVLDBRAR-JGVFFNPUSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-18-9-10(19(2)13(21)17-11(9)20)16-12(18)15-8-5-3-4-7(8)6-14/h7-8H,3-6,14H2,1-2H3,(H,15,16)(H,17,20,21)/t7-,8+/m0/s1.
What are the key properties of 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione?
8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione has a molecular weight of 292.34 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 154864923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).