8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione

C10H14N4O3 — CID 112569040

IUPAC8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(C(C)(C)CO)nc21
InChIInChI=1S/C10H14N4O3/c1-10(2,4-15)8-11-5-6(12-8)14(3)9(17)13-7(5)16/h15H,4H2,1-3H3,(H,11,12)(H,13,16,17)
InChIKeyGXWJMQTWYPTTBM-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.78
Rot. Bonds2

About 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione

8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione (PubChem CID 112569040) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione
PubChem CID112569040
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(C(C)(C)CO)nc21
InChIInChI=1S/C10H14N4O3/c1-10(2,4-15)8-11-5-6(12-8)14(3)9(17)13-7(5)16/h15H,4H2,1-3H3,(H,11,12)(H,13,16,17)
InChIKeyGXWJMQTWYPTTBM-UHFFFAOYSA-N
XLogP-0.78
TPSA103.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-8-(2-methylbutan-2-yl)-7H-purine-2,6-dione
CID 112568931
3-methyl-8-(2,2,2-trifluoroethyl)-7H-purine-2,6-dione
CID 112569071
8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7H-purine-2,6-dione
CID 950535
3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-7H-purine-2,6-dione
CID 3103863
1-methyl-2,4,6-trioxo-5H-pteridine-7-carboxylic acid
CID 23422189
3-ethyl-8-(2-hydroxypropan-2-yl)-7H-purine-2,6-dione
CID 112568946
3-methyl-8-methylsulfanyl-7H-purine-2,6-dione
CID 130009999
tert-butyl N-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]carbamate
CID 129269697
methyl-(3-methyl-2,6-dioxo-7H-purin-8-yl)carbamic acid
CID 129250242
8-butyl-3-methyl-7H-purine-2,6-dione
CID 112568989
8-(1,2-dihydroxy-3-sulfanylpropyl)-3-methyl-7H-purine-2,6-dione
CID 170820689
8-(3-chloroprop-1-enyl)-3-methyl-7H-purine-2,6-dione
CID 169478060

Frequently Asked Questions

What is the IUPAC name of 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione?
The IUPAC name of 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione (CID 112569040) is 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2[nH]c(C(C)(C)CO)nc21.
What is the InChIKey of 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione?
The InChIKey is GXWJMQTWYPTTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-10(2,4-15)8-11-5-6(12-8)14(3)9(17)13-7(5)16/h15H,4H2,1-3H3,(H,11,12)(H,13,16,17).
What are the key properties of 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione?
8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione has a molecular weight of 238.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione is sourced from PubChem (CID 112569040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).