8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione

C14H20N6O2 — CID 78201584

IUPAC8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
SMILESCc1cc(C)n(C2=NC3C(C(=O)NC(=O)N3C)N2C(C)C)n1
InChIInChI=1S/C14H20N6O2/c1-7(2)19-10-11(18(5)14(22)16-12(10)21)15-13(19)20-9(4)6-8(3)17-20/h6-7,10-11H,1-5H3,(H,16,21,22)
InChIKeyNOEZBFREBFGDDQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.30
Rot. Bonds1

About 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione

8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78201584) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
PubChem CID78201584
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
SMILESCc1cc(C)n(C2=NC3C(C(=O)NC(=O)N3C)N2C(C)C)n1
InChIInChI=1S/C14H20N6O2/c1-7(2)19-10-11(18(5)14(22)16-12(10)21)15-13(19)20-9(4)6-8(3)17-20/h6-7,10-11H,1-5H3,(H,16,21,22)
InChIKeyNOEZBFREBFGDDQ-UHFFFAOYSA-N
XLogP0.30
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 74806737
8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)-4,5-dihydropurine-2,6-dione
CID 74806738
6-(3-chloropropyl)-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73435681
N-methyl-2-[(3-methyl-2,6-dioxo-7-propan-2-yl-4,5-dihydropurin-8-yl)sulfanyl]acetamide
CID 74526096
6-[2-(diethylamino)ethyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78369238
8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
CID 78212541
4,7,8-trimethyl-6-(2-methylphenyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78372317
6-(2-chloroethyl)-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73280249
7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 73338334
6-benzyl-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78211170
6-(3-chlorophenyl)-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78369341
4-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)benzamide
CID 74776516

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione (CID 78201584) is 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione is Cc1cc(C)n(C2=NC3C(C(=O)NC(=O)N3C)N2C(C)C)n1.
What is the InChIKey of 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is NOEZBFREBFGDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-7(2)19-10-11(18(5)14(22)16-12(10)21)15-13(19)20-9(4)6-8(3)17-20/h6-7,10-11H,1-5H3,(H,16,21,22).
What are the key properties of 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 304.35 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78201584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).