6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one

C19H20FN5O — CID 167039679

IUPAC6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one
SMILESCCCn1c(Cc2cc3c(cc2C)CCC3=O)nc2c(N)nc(F)nc21
InChIInChI=1S/C19H20FN5O/c1-3-6-25-15(22-16-17(21)23-19(20)24-18(16)25)9-12-8-13-11(7-10(12)2)4-5-14(13)26/h7-8H,3-6,9H2,1-2H3,(H2,21,23,24)
InChIKeyYXLHLOQYADMWIN-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.99
Rot. Bonds4

About 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one

6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one (PubChem CID 167039679) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one
PubChem CID167039679
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one
SMILESCCCn1c(Cc2cc3c(cc2C)CCC3=O)nc2c(N)nc(F)nc21
InChIInChI=1S/C19H20FN5O/c1-3-6-25-15(22-16-17(21)23-19(20)24-18(16)25)9-12-8-13-11(7-10(12)2)4-5-14(13)26/h7-8H,3-6,9H2,1-2H3,(H2,21,23,24)
InChIKeyYXLHLOQYADMWIN-UHFFFAOYSA-N
XLogP2.99
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-amino-8-[(6-ethyl-3-oxo-1,2-dihydroinden-5-yl)methyl]-2-fluoropurin-9-yl]-N-methylpropanamide
CID 123461441
3-[6-amino-2-fluoro-8-[(6-iodo-3-oxo-1,2-dihydroinden-5-yl)methyl]purin-9-yl]propanamide
CID 70855493
N-[2-[6-amino-2-fluoro-8-[(6-iodo-3-oxo-1,2-dihydroinden-5-yl)methyl]purin-9-yl]ethyl]-2-methylpropanamide
CID 70855496
3-[6-amino-2-fluoro-8-[(6-iodo-3-oxo-1,2-dihydroinden-5-yl)methyl]purin-9-yl]-N-tert-butylpropanamide
CID 70855489
3-[6-amino-2-fluoro-8-[(6-iodo-3-oxo-1,2-dihydroinden-5-yl)methyl]purin-9-yl]-N-propan-2-ylpropanamide
CID 70855823
N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]acetamide
CID 167039705
N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide
CID 167039697
N-[2-[6-amino-2-fluoro-8-[(6-methyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]formamide
CID 167039880
9-[2-(2,2-dimethylpropylamino)ethyl]-2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]purin-6-amine
CID 71230115
3-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]-N-cyclopropylpropanamide
CID 167039966
3-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]-N-propan-2-ylpropane-1-sulfonamide
CID 167039942
2-[6-amino-2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]purin-9-yl]-N-propan-2-ylethanesulfonamide
CID 167039631

Frequently Asked Questions

What is the IUPAC name of 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one (CID 167039679) is 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one is CCCn1c(Cc2cc3c(cc2C)CCC3=O)nc2c(N)nc(F)nc21.
What is the InChIKey of 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one?
The InChIKey is YXLHLOQYADMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-3-6-25-15(22-16-17(21)23-19(20)24-18(16)25)9-12-8-13-11(7-10(12)2)4-5-14(13)26/h7-8H,3-6,9H2,1-2H3,(H2,21,23,24).
What are the key properties of 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one?
6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one has a molecular weight of 353.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-2-fluoro-9-propylpurin-8-yl)methyl]-5-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 167039679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).