7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride

C17H19ClN6O2 — CID 44570366

IUPAC7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride
SMILESCCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(Cc2ccncc2)c1=O.Cl
InChIInChI=1S/C17H18N6O2.ClH/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-4-6-18-7-5-12;/h4-7,9H,3,8,10H2,1-2H3,(H,19,20);1H
InChIKeyCGPDDBVQKRLDKE-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.72
Rot. Bonds4

About 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride

7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride (PubChem CID 44570366) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride
PubChem CID44570366
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride
SMILESCCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(Cc2ccncc2)c1=O.Cl
InChIInChI=1S/C17H18N6O2.ClH/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-4-6-18-7-5-12;/h4-7,9H,3,8,10H2,1-2H3,(H,19,20);1H
InChIKeyCGPDDBVQKRLDKE-UHFFFAOYSA-N
XLogP1.72
TPSA89.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride with MolForge

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Related Compounds

4-benzyl-7-methyl-2-prop-2-enyl-6H-purino[7,8-a]imidazole-1,3-dione
CID 44570416
4,7-dimethyl-2-[(3-methylphenyl)methyl]-6H-purino[7,8-a]imidazole-1,3-dione
CID 16805031
7-benzyl-8-tert-butyl-3-(2-hydroxyethyl)-1-propylpurine-2,6-dione
CID 21258190
4-benzyl-7-phenyl-2-propyl-5H-purino[7,8-a]pyrrole-1,3-dione
CID 91187102
3-benzyl-8-(hydroxymethyl)-1-propyl-7H-purine-2,6-dione
CID 11438408
3-benzyl-8-(bromomethyl)-7-(2-oxopropyl)-1-propylpurine-2,6-dione
CID 11396361
8-[1-methyl-3-(pyridin-4-ylmethoxy)pyrazol-5-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 135529361
1-[(4-chlorophenyl)methyl]-8-(dimethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 25062660
3-benzyl-8-(hydroxymethyl)-7-(3-oxobutan-2-yl)-1-propylpurine-2,6-dione
CID 11485926
8-ethyl-7-methyl-1-[(4-propan-2-ylphenyl)methyl]-3-propylpurine-2,6-dione
CID 25062127
5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63799243
1-[(4-chlorophenyl)methyl]-8-methoxy-7-methyl-3-propylpurine-2,6-dione;8-methoxy-7-methyl-3-propylpurine-2,6-dione
CID 158376153

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride?
The IUPAC name of 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride (CID 44570366) is 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride.
What is the SMILES notation for 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride?
The canonical SMILES for 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride is CCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(Cc2ccncc2)c1=O.Cl.
What is the InChIKey of 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride?
The InChIKey is CGPDDBVQKRLDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2.ClH/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-4-6-18-7-5-12;/h4-7,9H,3,8,10H2,1-2H3,(H,19,20);1H.
What are the key properties of 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride?
7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride has a molecular weight of 374.83 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propyl-4-(pyridin-4-ylmethyl)-6H-purino[7,8-a]imidazole-1,3-dione;hydrochloride is sourced from PubChem (CID 44570366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).