2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione

C14H16N6O2 — CID 155214722

IUPAC2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione
SMILESCC(C)(C)c1cccc(-n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)n1
InChIInChI=1S/C14H16N6O2/c1-14(2,3)7-5-4-6-8(16-7)20-10-9(17-13(20)22)11(21)19-12(15)18-10/h4-6H,1-3H3,(H,17,22)(H3,15,18,19,21)
InChIKeyCWMWQTWBYFMFNP-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.68
Rot. Bonds1

About 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione

2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione (PubChem CID 155214722) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione
PubChem CID155214722
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione
SMILESCC(C)(C)c1cccc(-n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)n1
InChIInChI=1S/C14H16N6O2/c1-14(2,3)7-5-4-6-8(16-7)20-10-9(17-13(20)22)11(21)19-12(15)18-10/h4-6H,1-3H3,(H,17,22)(H3,15,18,19,21)
InChIKeyCWMWQTWBYFMFNP-UHFFFAOYSA-N
XLogP0.68
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione with MolForge

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Related Compounds

3,8-diamino-7H-purine-2,6-dione
CID 66980062
6-amino-2-methyl-9-phenyl-7H-purin-8-one
CID 174885832
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione
CID 136623389
2-amino-9-[(2R,3R,4S)-5-(2-ethyl-2-methylbutyl)-3,4-dihydroxyoxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 137130563
8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione
CID 82465398
2-methyl-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960121
2-amino-9-(3-methylphenyl)-1H-purin-6-one
CID 135416977
2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 135488127
2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 150908321
2,6-dioxo-3-phenyl-7H-purine-8-sulfonic acid
CID 130302539
2-(15N)azanyl-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 139025682

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione?
The IUPAC name of 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione (CID 155214722) is 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione is CC(C)(C)c1cccc(-n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)n1.
What is the InChIKey of 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione?
The InChIKey is CWMWQTWBYFMFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-14(2,3)7-5-4-6-8(16-7)20-10-9(17-13(20)22)11(21)19-12(15)18-10/h4-6H,1-3H3,(H,17,22)(H3,15,18,19,21).
What are the key properties of 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione?
2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione has a molecular weight of 300.32 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 155214722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).