3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C18H22FN7O — CID 69154693

IUPAC3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1ccc(Cc2[nH]nc3nc(NCCN4CCOCC4)ncc23)cc1F
InChIInChI=1S/C18H22FN7O/c19-14-9-12(1-2-15(14)20)10-16-13-11-22-18(23-17(13)25-24-16)21-3-4-26-5-7-27-8-6-26/h1-2,9,11H,3-8,10,20H2,(H2,21,22,23,24,25)
InChIKeyNLRMRJFEGHDNCK-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.41
Rot. Bonds6

About 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 69154693) has the molecular formula C18H22FN7O and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID69154693
Molecular FormulaC18H22FN7O
Molecular Weight371.42 g/mol
Exact Mass371.19
IUPAC Name3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1ccc(Cc2[nH]nc3nc(NCCN4CCOCC4)ncc23)cc1F
InChIInChI=1S/C18H22FN7O/c19-14-9-12(1-2-15(14)20)10-16-13-11-22-18(23-17(13)25-24-16)21-3-4-26-5-7-27-8-6-26/h1-2,9,11H,3-8,10,20H2,(H2,21,22,23,24,25)
InChIKeyNLRMRJFEGHDNCK-UHFFFAOYSA-N
XLogP1.41
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(benzylamino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 57413712
N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 147587336
3-[2-[2-(4-chlorophenyl)ethyl]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 160943944
N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 152951354
3-methyl-5-N-(2-morpholin-4-ylethyl)isoquinoline-5,8-diamine
CID 102712947
4-[[3-amino-2-(trifluoromethyl)phenyl]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68977886
3-[[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-(2-trimethylsilylethoxy)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 70558908
1-[[2-amino-3-(trifluoromethyl)phenyl]methyl]-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 21098072
N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253198
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
CID 90322943

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 69154693) is 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine is Nc1ccc(Cc2[nH]nc3nc(NCCN4CCOCC4)ncc23)cc1F.
What is the InChIKey of 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is NLRMRJFEGHDNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O/c19-14-9-12(1-2-15(14)20)10-16-13-11-22-18(23-17(13)25-24-16)21-3-4-26-5-7-27-8-6-26/h1-2,9,11H,3-8,10,20H2,(H2,21,22,23,24,25).
What are the key properties of 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 371.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 69154693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).