2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine

C20H24FN5O2 — CID 66913072

IUPAC2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine
SMILESNc1c(N2CCOCC2)nc(C=Cc2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C20H24FN5O2/c21-16-4-1-15(2-5-16)3-6-17-23-19(25-7-11-27-12-8-25)18(22)20(24-17)26-9-13-28-14-10-26/h1-6H,7-14,22H2
InChIKeyQRSQPYKXXHHNAF-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.04
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine

2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine (PubChem CID 66913072) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine
PubChem CID66913072
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine
SMILESNc1c(N2CCOCC2)nc(C=Cc2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C20H24FN5O2/c21-16-4-1-15(2-5-16)3-6-17-23-19(25-7-11-27-12-8-25)18(22)20(24-17)26-9-13-28-14-10-26/h1-6H,7-14,22H2
InChIKeyQRSQPYKXXHHNAF-UHFFFAOYSA-N
XLogP2.04
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine (CID 66913072) is 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine is Nc1c(N2CCOCC2)nc(C=Cc2ccc(F)cc2)nc1N1CCOCC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine?
The InChIKey is QRSQPYKXXHHNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-16-4-1-15(2-5-16)3-6-17-23-19(25-7-11-27-12-8-25)18(22)20(24-17)26-9-13-28-14-10-26/h1-6H,7-14,22H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine?
2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine has a molecular weight of 385.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine is sourced from PubChem (CID 66913072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).