2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide

C18H19FN6O2 — CID 136553672

IUPAC2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(OC2CCC2)c(F)c1)n1cnc2c(N)ncnc21
InChIInChI=1S/C18H19FN6O2/c1-10(25-9-23-15-16(20)21-8-22-17(15)25)18(26)24-11-5-6-14(13(19)7-11)27-12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,24,26)(H2,20,21,22)
InChIKeyBNUSIYIJAVGFAW-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.68
Rot. Bonds5

About 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide

2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide (PubChem CID 136553672) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide
PubChem CID136553672
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(OC2CCC2)c(F)c1)n1cnc2c(N)ncnc21
InChIInChI=1S/C18H19FN6O2/c1-10(25-9-23-15-16(20)21-8-22-17(15)25)18(26)24-11-5-6-14(13(19)7-11)27-12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,24,26)(H2,20,21,22)
InChIKeyBNUSIYIJAVGFAW-UHFFFAOYSA-N
XLogP2.68
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide
CID 136553586
2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 138034324
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide
CID 167947694
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119811119
2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide
CID 136553752
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 166244455
1-(4-cyclobutyloxy-3-fluorophenyl)-3-[1-(2,2-difluoroethyl)pyrazol-3-yl]urea
CID 75524717
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086184
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide (CID 136553672) is 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide is CC(C(=O)Nc1ccc(OC2CCC2)c(F)c1)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide?
The InChIKey is BNUSIYIJAVGFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-10(25-9-23-15-16(20)21-8-22-17(15)25)18(26)24-11-5-6-14(13(19)7-11)27-12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,24,26)(H2,20,21,22).
What are the key properties of 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide?
2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide has a molecular weight of 370.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide is sourced from PubChem (CID 136553672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).