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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Related Compounds

2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine;4-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-yl-5-nitropyrimidin-4-yl]morpholine
CID 161436210
13-[4-[(E)-2-[4,6-bis[(E)-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 132506106
4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine
CID 66738881
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine
CID 71426490
2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine
CID 86660459
3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846653
4-(2-fluorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-5-amine
CID 83286313
4-[6-(4-fluorophenyl)-3-methyl-1,2,4-triazin-5-yl]morpholine
CID 6405048
methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate
CID 175443779

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).