(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride

C16H18ClN5O — CID 135665262

IUPAC(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride
SMILESCC[C@@H]1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1.Cl
InChIInChI=1S/C16H17N5O.ClH/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10;/h4-8,11,17H,3,9H2,1-2H3;1H/t11-;/m1./s1
InChIKeyGXTWRDNRTCRTTO-RFVHGSKJSA-N
MW331.81 g/mol
LogP2.37
Rot. Bonds2

About (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride

(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride (PubChem CID 135665262) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride.

Molecular Properties

Compound Name(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride
PubChem CID135665262
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride
SMILESCC[C@@H]1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1.Cl
InChIInChI=1S/C16H17N5O.ClH/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10;/h4-8,11,17H,3,9H2,1-2H3;1H/t11-;/m1./s1
InChIKeyGXTWRDNRTCRTTO-RFVHGSKJSA-N
XLogP2.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

5H-Imidazo(2,1-i)purin-5-one, 2-(4-bromophenyl)-1,4,7,8-tetrahydro-4-propyl-
CID 135409562
8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 135921139
6-Amino-9-benzyl-1,7-dihydropurine-2,8-dione
CID 11230625
(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 168274222
(R)-8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 135433658
1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 135921140
(8R)-8-ethyl-4-methyl-2-[(E)-2-phenylethenyl]-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136000583
(S)-8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 136000584
(8S)-8-ethyl-4-methyl-2-[(E)-2-phenylethenyl]-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136000715
(8R)-8-ethyl-4-methyl-2-(2,3,5-tritritiophenyl)-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136026182
1-Benzyl-4-(butan-2-ylamino)-5-methylpyrimidin-2-one
CID 155515630
1-Benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
CID 155538095

Frequently Asked Questions

What is the IUPAC name of (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride?
The IUPAC name of (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride (CID 135665262) is (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride.
What is the SMILES notation for (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride?
The canonical SMILES for (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride is CC[C@@H]1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1.Cl.
What is the InChIKey of (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride?
The InChIKey is GXTWRDNRTCRTTO-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H17N5O.ClH/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10;/h4-8,11,17H,3,9H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride?
(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride has a molecular weight of 331.81 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride is sourced from PubChem (CID 135665262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).