8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione

C10H8ClN5O2 — CID 121215825

IUPAC8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(nc3nc(Cl)ccn32)n(C)c1=O
InChIInChI=1S/C10H8ClN5O2/c1-14-7-6(8(17)15(2)10(14)18)16-4-3-5(11)12-9(16)13-7/h3-4H,1-2H3
InChIKeyDMDHJZRJIINPGE-UHFFFAOYSA-N
MW265.66 g/mol
LogP-0.07
Rot. Bonds

About 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione

8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione (PubChem CID 121215825) has the molecular formula C10H8ClN5O2 and a molecular weight of 265.66 g/mol. Its IUPAC name is 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione
PubChem CID121215825
Molecular FormulaC10H8ClN5O2
Molecular Weight265.66 g/mol
Exact Mass265.04
IUPAC Name8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(nc3nc(Cl)ccn32)n(C)c1=O
InChIInChI=1S/C10H8ClN5O2/c1-14-7-6(8(17)15(2)10(14)18)16-4-3-5(11)12-9(16)13-7/h3-4H,1-2H3
InChIKeyDMDHJZRJIINPGE-UHFFFAOYSA-N
XLogP-0.07
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(E)-2-(4-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
CID 71717928
8-chloro-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CID 3239845
(1,3-dimethyl-2,4-dioxopurino[7,8-a]pyridin-8-yl)methyl acetate
CID 134090427
(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
CID 173012606
7-[(4-bromophenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione
CID 598171
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 51109198
8-chloro-7-[(5-chlorothiophen-2-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 51190460
8-[(4-chlorophenoxy)methyl]-1,3,7-trimethylpurine-2,6-dione
CID 70693293
9-[5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentyl]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione
CID 118736401
7-tert-butyl-2,4-dimethylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16812949
1,3,7-trimethyl-8-(1H-pyrazol-5-yl)purine-2,6-dione
CID 175188043
8-[2-(4-chlorophenoxy)ethoxy]-1,3,7-trimethylpurine-2,6-dione
CID 53375712

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione (CID 121215825) is 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione is Cn1c(=O)c2c(nc3nc(Cl)ccn32)n(C)c1=O.
What is the InChIKey of 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is DMDHJZRJIINPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O2/c1-14-7-6(8(17)15(2)10(14)18)16-4-3-5(11)12-9(16)13-7/h3-4H,1-2H3.
What are the key properties of 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione?
8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 265.66 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 121215825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).