9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine

C22H17F2N5O — CID 141441318

IUPAC9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine
SMILESCC(C1=C(c2ccccc2F)Cc2cc(F)ccc2O1)n1cnc2c(N)ncnc21
InChIInChI=1S/C22H17F2N5O/c1-12(29-11-28-19-21(25)26-10-27-22(19)29)20-16(15-4-2-3-5-17(15)24)9-13-8-14(23)6-7-18(13)30-20/h2-8,10-12H,9H2,1H3,(H2,25,26,27)
InChIKeyJZFNEJLHBLYNGE-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.29
Rot. Bonds3

About 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine

9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine (PubChem CID 141441318) has the molecular formula C22H17F2N5O and a molecular weight of 405.41 g/mol. Its IUPAC name is 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine
PubChem CID141441318
Molecular FormulaC22H17F2N5O
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine
SMILESCC(C1=C(c2ccccc2F)Cc2cc(F)ccc2O1)n1cnc2c(N)ncnc21
InChIInChI=1S/C22H17F2N5O/c1-12(29-11-28-19-21(25)26-10-27-22(19)29)20-16(15-4-2-3-5-17(15)24)9-13-8-14(23)6-7-18(13)30-20/h2-8,10-12H,9H2,1H3,(H2,25,26,27)
InChIKeyJZFNEJLHBLYNGE-UHFFFAOYSA-N
XLogP4.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(6-aminopurin-9-yl)ethyl]-6-fluoro-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174665851
9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine
CID 141402857
1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141441309
7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 160628160
2-[(6-aminopurin-9-yl)methyl]-3-(2-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174665803
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide
CID 136553752
2-[[2-(6-aminopurin-9-yl)-1-anilinopropylidene]amino]-6-fluorobenzenesulfinic acid
CID 130337558
5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62019586
3-[(6-aminopurin-9-yl)methyl]-4-(2-fluorophenyl)isochromen-1-one
CID 118131102
[1-(6-aminopurin-9-yl)ethoxy-diphenoxymethyl]phosphonic acid
CID 118952572
9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
CID 170584752

Frequently Asked Questions

What is the IUPAC name of 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine?
The IUPAC name of 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine (CID 141441318) is 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine.
What is the SMILES notation for 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine?
The canonical SMILES for 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine is CC(C1=C(c2ccccc2F)Cc2cc(F)ccc2O1)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine?
The InChIKey is JZFNEJLHBLYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O/c1-12(29-11-28-19-21(25)26-10-27-22(19)29)20-16(15-4-2-3-5-17(15)24)9-13-8-14(23)6-7-18(13)30-20/h2-8,10-12H,9H2,1H3,(H2,25,26,27).
What are the key properties of 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine?
9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine has a molecular weight of 405.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[6-fluoro-3-(2-fluorophenyl)-4H-chromen-2-yl]ethyl]purin-6-amine is sourced from PubChem (CID 141441318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).