N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine

C18H21FN6O — CID 91297633

IUPACN-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine
SMILESCCN(c1ncc2c(-c3cccc(F)c3)nn(C)c2n1)N1CCOCC1
InChIInChI=1S/C18H21FN6O/c1-3-25(24-7-9-26-10-8-24)18-20-12-15-16(22-23(2)17(15)21-18)13-5-4-6-14(19)11-13/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyMWEUYHZXEOCXFY-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.24
Rot. Bonds4

About N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine

N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine (PubChem CID 91297633) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine
PubChem CID91297633
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC NameN-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine
SMILESCCN(c1ncc2c(-c3cccc(F)c3)nn(C)c2n1)N1CCOCC1
InChIInChI=1S/C18H21FN6O/c1-3-25(24-7-9-26-10-8-24)18-20-12-15-16(22-23(2)17(15)21-18)13-5-4-6-14(19)11-13/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyMWEUYHZXEOCXFY-UHFFFAOYSA-N
XLogP2.24
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine?
The IUPAC name of N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine (CID 91297633) is N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine.
What is the SMILES notation for N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine?
The canonical SMILES for N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine is CCN(c1ncc2c(-c3cccc(F)c3)nn(C)c2n1)N1CCOCC1.
What is the InChIKey of N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine?
The InChIKey is MWEUYHZXEOCXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-3-25(24-7-9-26-10-8-24)18-20-12-15-16(22-23(2)17(15)21-18)13-5-4-6-14(19)11-13/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine?
N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine has a molecular weight of 356.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]morpholin-4-amine is sourced from PubChem (CID 91297633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).