5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine

C16H19FN4O — CID 66509696

IUPAC5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cccc(F)c2)c(C2CNCCO2)n1
InChIInChI=1S/C16H19FN4O/c1-21(2)16-19-9-13(11-4-3-5-12(17)8-11)15(20-16)14-10-18-6-7-22-14/h3-5,8-9,14,18H,6-7,10H2,1-2H3
InChIKeyQEZPEFNCEJAPKX-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.01
Rot. Bonds3

About 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine

5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine (PubChem CID 66509696) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
PubChem CID66509696
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cccc(F)c2)c(C2CNCCO2)n1
InChIInChI=1S/C16H19FN4O/c1-21(2)16-19-9-13(11-4-3-5-12(17)8-11)15(20-16)14-10-18-6-7-22-14/h3-5,8-9,14,18H,6-7,10H2,1-2H3
InChIKeyQEZPEFNCEJAPKX-UHFFFAOYSA-N
XLogP2.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine (CID 66509696) is 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine is CN(C)c1ncc(-c2cccc(F)c2)c(C2CNCCO2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine?
The InChIKey is QEZPEFNCEJAPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-21(2)16-19-9-13(11-4-3-5-12(17)8-11)15(20-16)14-10-18-6-7-22-14/h3-5,8-9,14,18H,6-7,10H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine?
5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine has a molecular weight of 302.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 66509696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).