2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride

C14H16ClN5O — CID 126666255

IUPAC2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
SMILESCC(Cn1c(N)nc2nc[nH]c2c1=O)c1ccccc1.Cl
InChIInChI=1S/C14H15N5O.ClH/c1-9(10-5-3-2-4-6-10)7-19-13(20)11-12(17-8-16-11)18-14(19)15;/h2-6,8-9H,7H2,1H3,(H2,15,18)(H,16,17);1H
InChIKeyMMHKGHFBSMZFRM-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride

2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride (PubChem CID 126666255) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
PubChem CID126666255
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
SMILESCC(Cn1c(N)nc2nc[nH]c2c1=O)c1ccccc1.Cl
InChIInChI=1S/C14H15N5O.ClH/c1-9(10-5-3-2-4-6-10)7-19-13(20)11-12(17-8-16-11)18-14(19)15;/h2-6,8-9H,7H2,1H3,(H2,15,18)(H,16,17);1H
InChIKeyMMHKGHFBSMZFRM-UHFFFAOYSA-N
XLogP1.93
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride?
The IUPAC name of 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride (CID 126666255) is 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride is CC(Cn1c(N)nc2nc[nH]c2c1=O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride?
The InChIKey is MMHKGHFBSMZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.ClH/c1-9(10-5-3-2-4-6-10)7-19-13(20)11-12(17-8-16-11)18-14(19)15;/h2-6,8-9H,7H2,1H3,(H2,15,18)(H,16,17);1H.
What are the key properties of 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride?
2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride has a molecular weight of 305.77 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride is sourced from PubChem (CID 126666255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).