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

C14H18N8O2 — CID 95313494

IUPAC3,7-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
SMILESCc1nc2n(n1)C[C@H](Nc1nc3c(c(=O)[nH]c(=O)n3C)n1C)CC2
InChIInChI=1S/C14H18N8O2/c1-7-15-9-5-4-8(6-22(9)19-7)16-13-17-11-10(20(13)2)12(23)18-14(24)21(11)3/h8H,4-6H2,1-3H3,(H,16,17)(H,18,23,24)/t8-/m1/s1
InChIKeyWZMKZVLYSVIIPR-MRVPVSSYSA-N
MW330.35 g/mol
LogP-0.71
Rot. Bonds2

About 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

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 (PubChem CID 95313494) has the molecular formula C14H18N8O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,7-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
PubChem CID95313494
Molecular FormulaC14H18N8O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name3,7-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
SMILESCc1nc2n(n1)C[C@H](Nc1nc3c(c(=O)[nH]c(=O)n3C)n1C)CC2
InChIInChI=1S/C14H18N8O2/c1-7-15-9-5-4-8(6-22(9)19-7)16-13-17-11-10(20(13)2)12(23)18-14(24)21(11)3/h8H,4-6H2,1-3H3,(H,16,17)(H,18,23,24)/t8-/m1/s1
InChIKeyWZMKZVLYSVIIPR-MRVPVSSYSA-N
XLogP-0.71
TPSA115.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

8-[(1-acetylpiperidin-3-yl)amino]-3,7-dimethylpurine-2,6-dione
CID 122566965
3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione
CID 97075217
8-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]-3,7-dimethylpurine-2,6-dione
CID 122559941
8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione
CID 154864923
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
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
2-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 5136088
3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 82466111
5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95758084
8-(cyclopentylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 1089301
8-anilino-3,7-dimethylpurine-2,6-dione;hydrochloride
CID 166190002

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2n(n1)C[C@H](Nc1nc3c(c(=O)[nH]c(=O)n3C)n1C)CC2.
What is the InChIKey of 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?
The InChIKey is WZMKZVLYSVIIPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N8O2/c1-7-15-9-5-4-8(6-22(9)19-7)16-13-17-11-10(20(13)2)12(23)18-14(24)21(11)3/h8H,4-6H2,1-3H3,(H,16,17)(H,18,23,24)/t8-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 330.35 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95313494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).