N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C15H17FN4O — CID 921801

IUPACN-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17FN4O/c1-11-9-14(18-13-4-2-3-12(16)10-13)19-15(17-11)20-5-7-21-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)
InChIKeyJDYPUZAQLSRMTB-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.50
Rot. Bonds3

About N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 921801) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID921801
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17FN4O/c1-11-9-14(18-13-4-2-3-12(16)10-13)19-15(17-11)20-5-7-21-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)
InChIKeyJDYPUZAQLSRMTB-UHFFFAOYSA-N
XLogP2.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 921801) is N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1cc(Nc2cccc(F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is JDYPUZAQLSRMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11-9-14(18-13-4-2-3-12(16)10-13)19-15(17-11)20-5-7-21-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19).
What are the key properties of N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 288.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 921801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).