ethane;9-propan-2-yl-1H-purin-6-one

C10H16N4O — CID 162724389

IUPACethane;9-propan-2-yl-1H-purin-6-one
SMILESCC.CC(C)n1cnc2c(=O)[nH]cnc21
InChIInChI=1S/C8H10N4O.C2H6/c1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-2/h3-5H,1-2H3,(H,9,10,13);1-2H3
InChIKeyXVDZEWSNNYKEEC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.73
Rot. Bonds1

About ethane;9-propan-2-yl-1H-purin-6-one

ethane;9-propan-2-yl-1H-purin-6-one (PubChem CID 162724389) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is ethane;9-propan-2-yl-1H-purin-6-one.

Molecular Properties

Compound Nameethane;9-propan-2-yl-1H-purin-6-one
PubChem CID162724389
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Nameethane;9-propan-2-yl-1H-purin-6-one
SMILESCC.CC(C)n1cnc2c(=O)[nH]cnc21
InChIInChI=1S/C8H10N4O.C2H6/c1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-2/h3-5H,1-2H3,(H,9,10,13);1-2H3
InChIKeyXVDZEWSNNYKEEC-UHFFFAOYSA-N
XLogP1.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;9-propan-2-yl-1H-purin-6-one
CID 159981042
9-[amino(methylamino)methyl]-1H-purin-6-one
CID 146555872
9-(3,4-dihydroxybutan-2-yl)-1H-purin-6-one
CID 136653530
9-[1-(3-hydroxyphenyl)ethyl]-1H-purin-6-one
CID 135987617
9-methylphosphanyl-1H-purin-6-one
CID 168960021
9-ethyl-1H-purin-6-one
CID 135421831
[difluoro-[(1S,2S)-2-[(1S)-1-(6-oxo-1H-purin-9-yl)ethyl]cyclopropyl]methyl] dimethyl phosphate
CID 136870077
9-(2-chloroethyl)-1H-purin-6-one
CID 135408661
9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride
CID 135534581
9-propan-2-yl-2-(prop-1-en-2-ylamino)-1H-purin-6-one
CID 158648673
9-[(1S,4R,5S)-4,5-dihydroxy-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-yl]-1H-purin-6-one
CID 136797911
9-(4-methoxyphenyl)-1H-purin-6-one
CID 135491131

Frequently Asked Questions

What is the IUPAC name of ethane;9-propan-2-yl-1H-purin-6-one?
The IUPAC name of ethane;9-propan-2-yl-1H-purin-6-one (CID 162724389) is ethane;9-propan-2-yl-1H-purin-6-one.
What is the SMILES notation for ethane;9-propan-2-yl-1H-purin-6-one?
The canonical SMILES for ethane;9-propan-2-yl-1H-purin-6-one is CC.CC(C)n1cnc2c(=O)[nH]cnc21.
What is the InChIKey of ethane;9-propan-2-yl-1H-purin-6-one?
The InChIKey is XVDZEWSNNYKEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O.C2H6/c1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-2/h3-5H,1-2H3,(H,9,10,13);1-2H3.
What are the key properties of ethane;9-propan-2-yl-1H-purin-6-one?
ethane;9-propan-2-yl-1H-purin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-propan-2-yl-1H-purin-6-one is sourced from PubChem (CID 162724389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).