1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

C14H13N5O — CID 135921140

IUPAC1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCn1c(-c2ccccc2)nc2nc(=O)n3c(c21)NCC3
InChIInChI=1S/C14H13N5O/c1-18-10-11(16-12(18)9-5-3-2-4-6-9)17-14(20)19-8-7-15-13(10)19/h2-6,15H,7-8H2,1H3
InChIKeyQXTNMUWRCBCXHK-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.22
Rot. Bonds1

About 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135921140) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135921140
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCn1c(-c2ccccc2)nc2nc(=O)n3c(c21)NCC3
InChIInChI=1S/C14H13N5O/c1-18-10-11(16-12(18)9-5-3-2-4-6-9)17-14(20)19-8-7-15-13(10)19/h2-6,15H,7-8H2,1H3
InChIKeyQXTNMUWRCBCXHK-UHFFFAOYSA-N
XLogP1.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.22
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
(R)-8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 135433658
(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
6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine
CID 11119250
1-Benzyl-5-methyl-4-(octylamino)-1,2-dihydropyrimidin-2-one
CID 154040010
1-Benzyl-5-methyl-4-(3-methylbutylamino)pyrimidin-2-one
CID 155557231

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135921140) is 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is Cn1c(-c2ccccc2)nc2nc(=O)n3c(c21)NCC3.
What is the InChIKey of 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is QXTNMUWRCBCXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-18-10-11(16-12(18)9-5-3-2-4-6-9)17-14(20)19-8-7-15-13(10)19/h2-6,15H,7-8H2,1H3.
What are the key properties of 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 267.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135921140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).