8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione

C14H15N5O2 — CID 115925509

IUPAC8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ncccc3C)nc21
InChIInChI=1S/C14H15N5O2/c1-3-7-19-12-10(13(20)18-14(19)21)16-11(17-12)9-8(2)5-4-6-15-9/h4-6H,3,7H2,1-2H3,(H,16,17)(H,18,20,21)
InChIKeyNWAIISKUTHNTNN-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.19
Rot. Bonds3

About 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione

8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione (PubChem CID 115925509) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione
PubChem CID115925509
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ncccc3C)nc21
InChIInChI=1S/C14H15N5O2/c1-3-7-19-12-10(13(20)18-14(19)21)16-11(17-12)9-8(2)5-4-6-15-9/h4-6H,3,7H2,1-2H3,(H,16,17)(H,18,20,21)
InChIKeyNWAIISKUTHNTNN-UHFFFAOYSA-N
XLogP1.19
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione with MolForge

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Related Compounds

8-(1-methylpyrazol-3-yl)-3-propyl-7H-purine-2,6-dione
CID 136785876
8-(4-chlorophenyl)-3-propyl-7H-purine-2,6-dione
CID 91980635
8-(2-methyl-1,3-thiazol-4-yl)-3-propyl-7H-purine-2,6-dione
CID 115925487
8-(3-ethylthiophen-2-yl)-3-propyl-7H-purine-2,6-dione
CID 115925490
8-(3-methoxythiophen-2-yl)-3-propyl-7H-purine-2,6-dione
CID 115925521
3-ethyl-8-(6-methyl-3-pyridinyl)-7H-purine-2,6-dione
CID 115925584
8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione
CID 167939861
8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
CID 82465287
N-[[4-(2,6-dioxo-3-propyl-7H-purin-8-yl)phenoxy]methyl]-N-(2-hydroxyethyl)formamide
CID 87524658
8-(3-bromo-4-methylphenyl)-3-ethyl-7H-purine-2,6-dione
CID 115877858
3-ethyl-8-(4-methylthiophen-3-yl)-7H-purine-2,6-dione
CID 112568950
3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione
CID 115600488

Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione (CID 115925509) is 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ncccc3C)nc21.
What is the InChIKey of 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione?
The InChIKey is NWAIISKUTHNTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-3-7-19-12-10(13(20)18-14(19)21)16-11(17-12)9-8(2)5-4-6-15-9/h4-6H,3,7H2,1-2H3,(H,16,17)(H,18,20,21).
What are the key properties of 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione?
8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione has a molecular weight of 285.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 115925509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).