3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one

C19H25FN4O2 — CID 72949834

IUPAC3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(N(C)CCN3CCOCC3)c(F)c2)c(C)n1
InChIInChI=1S/C19H25FN4O2/c1-14-12-19(25)24(15(2)21-14)16-4-5-18(17(20)13-16)22(3)6-7-23-8-10-26-11-9-23/h4-5,12-13H,6-11H2,1-3H3
InChIKeyLSYYUTLVQGUXFO-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.76
Rot. Bonds5

About 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one

3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 72949834) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one
PubChem CID72949834
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(N(C)CCN3CCOCC3)c(F)c2)c(C)n1
InChIInChI=1S/C19H25FN4O2/c1-14-12-19(25)24(15(2)21-14)16-4-5-18(17(20)13-16)22(3)6-7-23-8-10-26-11-9-23/h4-5,12-13H,6-11H2,1-3H3
InChIKeyLSYYUTLVQGUXFO-UHFFFAOYSA-N
XLogP1.76
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one 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 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one (CID 72949834) is 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(-c2ccc(N(C)CCN3CCOCC3)c(F)c2)c(C)n1.
What is the InChIKey of 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is LSYYUTLVQGUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-14-12-19(25)24(15(2)21-14)16-4-5-18(17(20)13-16)22(3)6-7-23-8-10-26-11-9-23/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one?
3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 360.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[methyl(2-morpholin-4-ylethyl)amino]phenyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 72949834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).