6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen

C10H17N5O — CID 176964221

IUPAC6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen
SMILESCC(C)n1c(=O)[nH]c2c(N(C)C)ncnc21.[H][H]
InChIInChI=1S/C10H15N5O.H2/c1-6(2)15-9-7(13-10(15)16)8(14(3)4)11-5-12-9;/h5-6H,1-4H3,(H,13,16);1H
InChIKeyRJTQTTIBJDXWBG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.01
Rot. Bonds2

About 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen

6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen (PubChem CID 176964221) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen.

Molecular Properties

Compound Name6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen
PubChem CID176964221
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen
SMILESCC(C)n1c(=O)[nH]c2c(N(C)C)ncnc21.[H][H]
InChIInChI=1S/C10H15N5O.H2/c1-6(2)15-9-7(13-10(15)16)8(14(3)4)11-5-12-9;/h5-6H,1-4H3,(H,13,16);1H
InChIKeyRJTQTTIBJDXWBG-UHFFFAOYSA-N
XLogP1.01
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen?
The IUPAC name of 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen (CID 176964221) is 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen.
What is the SMILES notation for 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen?
The canonical SMILES for 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen is CC(C)n1c(=O)[nH]c2c(N(C)C)ncnc21.[H][H].
What is the InChIKey of 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen?
The InChIKey is RJTQTTIBJDXWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.H2/c1-6(2)15-9-7(13-10(15)16)8(14(3)4)11-5-12-9;/h5-6H,1-4H3,(H,13,16);1H.
What are the key properties of 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen?
6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen has a molecular weight of 223.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen is sourced from PubChem (CID 176964221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).