7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

C15H23ClN6O3 — CID 3062549

IUPAC7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
SMILESCN(CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1=NCCC1.Cl
InChIInChI=1S/C15H22N6O3.ClH/c1-18(11-5-4-6-16-11)7-10(22)8-21-9-17-13-12(21)14(23)20(3)15(24)19(13)2;/h9-10,22H,4-8H2,1-3H3;1H
InChIKeyKEJXHAAPNHDSDN-UHFFFAOYSA-N
MW370.84 g/mol
LogP-0.66
Rot. Bonds4

About 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride (PubChem CID 3062549) has the molecular formula C15H23ClN6O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
PubChem CID3062549
Molecular FormulaC15H23ClN6O3
Molecular Weight370.84 g/mol
Exact Mass370.15
IUPAC Name7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
SMILESCN(CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1=NCCC1.Cl
InChIInChI=1S/C15H22N6O3.ClH/c1-18(11-5-4-6-16-11)7-10(22)8-21-9-17-13-12(21)14(23)20(3)15(24)19(13)2;/h9-10,22H,4-8H2,1-3H3;1H
InChIKeyKEJXHAAPNHDSDN-UHFFFAOYSA-N
XLogP-0.66
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride?
The IUPAC name of 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride (CID 3062549) is 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
What is the SMILES notation for 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride?
The canonical SMILES for 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride is CN(CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1=NCCC1.Cl.
What is the InChIKey of 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride?
The InChIKey is KEJXHAAPNHDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3.ClH/c1-18(11-5-4-6-16-11)7-10(22)8-21-9-17-13-12(21)14(23)20(3)15(24)19(13)2;/h9-10,22H,4-8H2,1-3H3;1H.
What are the key properties of 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride?
7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride is sourced from PubChem (CID 3062549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).