6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one

C10H15N5O2 — CID 10243231

IUPAC6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one
SMILESCCCn1c(=O)nc(NCCO)c2[nH]cnc21
InChIInChI=1S/C10H15N5O2/c1-2-4-15-9-7(12-6-13-9)8(11-3-5-16)14-10(15)17/h6,16H,2-5H2,1H3,(H,12,13)(H,11,14,17)
InChIKeyVWYIIVKJULRBGG-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.07
Rot. Bonds5

About 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one

6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one (PubChem CID 10243231) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one
PubChem CID10243231
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one
SMILESCCCn1c(=O)nc(NCCO)c2[nH]cnc21
InChIInChI=1S/C10H15N5O2/c1-2-4-15-9-7(12-6-13-9)8(11-3-5-16)14-10(15)17/h6,16H,2-5H2,1H3,(H,12,13)(H,11,14,17)
InChIKeyVWYIIVKJULRBGG-UHFFFAOYSA-N
XLogP-0.07
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one?
The IUPAC name of 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one (CID 10243231) is 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one.
What is the SMILES notation for 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one?
The canonical SMILES for 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one is CCCn1c(=O)nc(NCCO)c2[nH]cnc21.
What is the InChIKey of 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one?
The InChIKey is VWYIIVKJULRBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-4-15-9-7(12-6-13-9)8(11-3-5-16)14-10(15)17/h6,16H,2-5H2,1H3,(H,12,13)(H,11,14,17).
What are the key properties of 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one?
6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one has a molecular weight of 237.26 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one is sourced from PubChem (CID 10243231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).