2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine

C18H23FN4O — CID 110113790

IUPAC2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(C2COCCN2CCc2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O/c1-13-11-17(20-2)22-18(21-13)16-12-24-10-9-23(16)8-7-14-3-5-15(19)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyWDVIMOQWYYJOBR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.58
Rot. Bonds5

About 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine

2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 110113790) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID110113790
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(C2COCCN2CCc2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O/c1-13-11-17(20-2)22-18(21-13)16-12-24-10-9-23(16)8-7-14-3-5-15(19)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyWDVIMOQWYYJOBR-UHFFFAOYSA-N
XLogP2.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59239165
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CID 75815439
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CID 659917
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CID 697226
CID 697226
CID 697239
CID 697239
CID 950649
CID 950649
CID 25128824
CID 25128824
CID 25129523
CID 25129523
CID 647327
CID 647327
CID 9589770
CID 9589770
CID 675240
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CID 921801
CID 921801

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine (CID 110113790) is 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(C2COCCN2CCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is WDVIMOQWYYJOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13-11-17(20-2)22-18(21-13)16-12-24-10-9-23(16)8-7-14-3-5-15(19)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine?
2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 330.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 110113790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).