N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine

C17H19FN6O — CID 94145816

IUPACN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
SMILESFc1ccc([C@H](CNc2ncnc3nc[nH]c23)N2CCOCC2)cc1
InChIInChI=1S/C17H19FN6O/c18-13-3-1-12(2-4-13)14(24-5-7-25-8-6-24)9-19-16-15-17(21-10-20-15)23-11-22-16/h1-4,10-11,14H,5-9H2,(H2,19,20,21,22,23)/t14-/m0/s1
InChIKeyNKIKPSJSKQJYDN-AWEZNQCLSA-N
MW342.38 g/mol
LogP1.98
Rot. Bonds5

About N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine (PubChem CID 94145816) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
PubChem CID94145816
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
SMILESFc1ccc([C@H](CNc2ncnc3nc[nH]c23)N2CCOCC2)cc1
InChIInChI=1S/C17H19FN6O/c18-13-3-1-12(2-4-13)14(24-5-7-25-8-6-24)9-19-16-15-17(21-10-20-15)23-11-22-16/h1-4,10-11,14H,5-9H2,(H2,19,20,21,22,23)/t14-/m0/s1
InChIKeyNKIKPSJSKQJYDN-AWEZNQCLSA-N
XLogP1.98
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 78901218
N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine
CID 146129006
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine
CID 171674081
3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478176
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844664
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17495949
5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97210458
5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
CID 133465938
4-[(1R)-1-(4-fluorophenyl)-2-morpholin-4-ylethyl]morpholine
CID 95988041
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine (CID 94145816) is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine is Fc1ccc([C@H](CNc2ncnc3nc[nH]c23)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine?
The InChIKey is NKIKPSJSKQJYDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-13-3-1-12(2-4-13)14(24-5-7-25-8-6-24)9-19-16-15-17(21-10-20-15)23-11-22-16/h1-4,10-11,14H,5-9H2,(H2,19,20,21,22,23)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine?
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine has a molecular weight of 342.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine is sourced from PubChem (CID 94145816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).