1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione

C14H15N5O2 — CID 167483189

IUPAC1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione
SMILESCc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cn1
InChIInChI=1S/C14H15N5O2/c1-8-5-6-9(7-15-8)11-16-12-10(17(11)2)13(20)19(4)14(21)18(12)3/h5-7H,1-4H3
InChIKeySQPLISNGPNRDBZ-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.34
Rot. Bonds1

About 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione

1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione (PubChem CID 167483189) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione.

Molecular Properties

Compound Name1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione
PubChem CID167483189
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione
SMILESCc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cn1
InChIInChI=1S/C14H15N5O2/c1-8-5-6-9(7-15-8)11-16-12-10(17(11)2)13(20)19(4)14(21)18(12)3/h5-7H,1-4H3
InChIKeySQPLISNGPNRDBZ-UHFFFAOYSA-N
XLogP0.34
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)benzenesulfonate
CID 59749118
N-[4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)phenyl]acetamide
CID 90855996
8-(3-bromophenyl)-1,3,7-trimethylpurine-2,6-dione
CID 154720015
1,3,7-trimethyl-8-(1H-pyrazol-5-yl)purine-2,6-dione
CID 175188043
N-[4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)phenyl]benzamide
CID 57333958
1,3,7-trimethylpurine-2,6-dione
CID 131953138
3,7-dimethyl-8-(4-methylphenyl)-1-prop-2-ynylpurine-2,6-dione
CID 89243440
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
CID 173012606
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 51109198
8-(4-chlorophenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione;N-ethylethanamine
CID 20562658
7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride
CID 70577095

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione?
The IUPAC name of 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione (CID 167483189) is 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione.
What is the SMILES notation for 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione?
The canonical SMILES for 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione is Cc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cn1.
What is the InChIKey of 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione?
The InChIKey is SQPLISNGPNRDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-5-6-9(7-15-8)11-16-12-10(17(11)2)13(20)19(4)14(21)18(12)3/h5-7H,1-4H3.
What are the key properties of 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione?
1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione has a molecular weight of 285.31 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione is sourced from PubChem (CID 167483189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).