9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride

C14H25ClN6O — CID 135534581

IUPAC9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride
SMILESCCN(CC)CCCC(C)Nn1cnc2c(=O)[nH]cnc21.Cl
InChIInChI=1S/C14H24N6O.ClH/c1-4-19(5-2)8-6-7-11(3)18-20-10-17-12-13(20)15-9-16-14(12)21;/h9-11,18H,4-8H2,1-3H3,(H,15,16,21);1H
InChIKeyVCIHHLYEFKBYOE-UHFFFAOYSA-N
MW328.85 g/mol
LogP1.60
Rot. Bonds8

About 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride

9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride (PubChem CID 135534581) has the molecular formula C14H25ClN6O and a molecular weight of 328.85 g/mol. Its IUPAC name is 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride.

Molecular Properties

Compound Name9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride
PubChem CID135534581
Molecular FormulaC14H25ClN6O
Molecular Weight328.85 g/mol
Exact Mass328.18
IUPAC Name9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride
SMILESCCN(CC)CCCC(C)Nn1cnc2c(=O)[nH]cnc21.Cl
InChIInChI=1S/C14H24N6O.ClH/c1-4-19(5-2)8-6-7-11(3)18-20-10-17-12-13(20)15-9-16-14(12)21;/h9-11,18H,4-8H2,1-3H3,(H,15,16,21);1H
InChIKeyVCIHHLYEFKBYOE-UHFFFAOYSA-N
XLogP1.60
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride?
The IUPAC name of 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride (CID 135534581) is 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride.
What is the SMILES notation for 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride?
The canonical SMILES for 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride is CCN(CC)CCCC(C)Nn1cnc2c(=O)[nH]cnc21.Cl.
What is the InChIKey of 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride?
The InChIKey is VCIHHLYEFKBYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O.ClH/c1-4-19(5-2)8-6-7-11(3)18-20-10-17-12-13(20)15-9-16-14(12)21;/h9-11,18H,4-8H2,1-3H3,(H,15,16,21);1H.
What are the key properties of 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride?
9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride has a molecular weight of 328.85 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(diethylamino)pentan-2-ylamino]-1H-purin-6-one;hydrochloride is sourced from PubChem (CID 135534581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).