[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride

C15H18ClFN4O — CID 82022744

IUPAC[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2ccc(F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17FN4O.ClH/c16-12-3-1-11(2-4-12)14-9-13(10-17)18-15(19-14)20-5-7-21-8-6-20;/h1-4,9H,5-8,10,17H2;1H
InChIKeyJVALPEHQJFDJCS-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.00
Rot. Bonds3

About [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride

[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride (PubChem CID 82022744) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
PubChem CID82022744
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC Name[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2ccc(F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17FN4O.ClH/c16-12-3-1-11(2-4-12)14-9-13(10-17)18-15(19-14)20-5-7-21-8-6-20;/h1-4,9H,5-8,10,17H2;1H
InChIKeyJVALPEHQJFDJCS-UHFFFAOYSA-N
XLogP2.00
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)-6-(4-fluorophenyl)pyrimidin-4-yl]methanamine
CID 28904578
[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022749
4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
CID 50983209
[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 28904443
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
CID 28908693
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
4-[4-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 39756782
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 95430396
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride (CID 82022744) is [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride is Cl.NCc1cc(-c2ccc(F)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride?
The InChIKey is JVALPEHQJFDJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.ClH/c16-12-3-1-11(2-4-12)14-9-13(10-17)18-15(19-14)20-5-7-21-8-6-20;/h1-4,9H,5-8,10,17H2;1H.
What are the key properties of [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride?
[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride has a molecular weight of 324.79 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 82022744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).