7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride

C16H25ClN6O2 — CID 3057435

IUPAC7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride
SMILESCC(C)n1c(CCN(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12.Cl
InChIInChI=1S/C16H24N6O2.ClH/c1-10(2)22-11(7-8-18(3)4)9-21-12-13(17-15(21)22)19(5)16(24)20(6)14(12)23;/h9-10H,7-8H2,1-6H3;1H
InChIKeyKEWLXAMBJDGSGU-UHFFFAOYSA-N
MW368.87 g/mol
LogP0.79
Rot. Bonds4

About 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride

7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride (PubChem CID 3057435) has the molecular formula C16H25ClN6O2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride
PubChem CID3057435
Molecular FormulaC16H25ClN6O2
Molecular Weight368.87 g/mol
Exact Mass368.17
IUPAC Name7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride
SMILESCC(C)n1c(CCN(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12.Cl
InChIInChI=1S/C16H24N6O2.ClH/c1-10(2)22-11(7-8-18(3)4)9-21-12-13(17-15(21)22)19(5)16(24)20(6)14(12)23;/h9-10H,7-8H2,1-6H3;1H
InChIKeyKEWLXAMBJDGSGU-UHFFFAOYSA-N
XLogP0.79
TPSA69.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride?
The IUPAC name of 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride (CID 3057435) is 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride.
What is the SMILES notation for 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride?
The canonical SMILES for 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride is CC(C)n1c(CCN(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12.Cl.
What is the InChIKey of 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride?
The InChIKey is KEWLXAMBJDGSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2.ClH/c1-10(2)22-11(7-8-18(3)4)9-21-12-13(17-15(21)22)19(5)16(24)20(6)14(12)23;/h9-10H,7-8H2,1-6H3;1H.
What are the key properties of 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride?
7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione;hydrochloride is sourced from PubChem (CID 3057435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).