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

C16H17N5O — CID 135433658

IUPAC(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCC[C@@H]1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1
InChIInChI=1S/C16H17N5O/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/t11-/m1/s1
InChIKeyXNWDEMWJNJVCBD-LLVKDONJSA-N
MW295.35 g/mol
LogP1.95
Rot. Bonds2

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

(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135433658) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135433658
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCC[C@@H]1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1
InChIInChI=1S/C16H17N5O/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/t11-/m1/s1
InChIKeyXNWDEMWJNJVCBD-LLVKDONJSA-N
XLogP1.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-[(4-benzylpiperazino)methyl]-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768866
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135848145
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
Psb 11 hydrochloride
CID 135665262

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?
The IUPAC name of (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135433658) is (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is CC[C@@H]1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1.
What is the InChIKey of (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is XNWDEMWJNJVCBD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N5O/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/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?
(8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 295.35 g/mol, XLogP of 1.95, 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 is sourced from PubChem (CID 135433658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).