4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine

C22H27FN4O — CID 95800690

IUPAC4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine
SMILESCc1nc(C2=CCN(Cc3cccc(F)c3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C22H27FN4O/c1-16-17(2)24-21(25-22(16)27-10-12-28-13-11-27)19-6-8-26(9-7-19)15-18-4-3-5-20(23)14-18/h3-6,14H,7-13,15H2,1-2H3
InChIKeyQJMAIFUXFABVJA-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.36
Rot. Bonds4

About 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine

4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine (PubChem CID 95800690) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine
PubChem CID95800690
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine
SMILESCc1nc(C2=CCN(Cc3cccc(F)c3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C22H27FN4O/c1-16-17(2)24-21(25-22(16)27-10-12-28-13-11-27)19-6-8-26(9-7-19)15-18-4-3-5-20(23)14-18/h3-6,14H,7-13,15H2,1-2H3
InChIKeyQJMAIFUXFABVJA-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine 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 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine (CID 95800690) is 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine is Cc1nc(C2=CCN(Cc3cccc(F)c3)CC2)nc(N2CCOCC2)c1C.
What is the InChIKey of 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine?
The InChIKey is QJMAIFUXFABVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-16-17(2)24-21(25-22(16)27-10-12-28-13-11-27)19-6-8-26(9-7-19)15-18-4-3-5-20(23)14-18/h3-6,14H,7-13,15H2,1-2H3.
What are the key properties of 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine?
4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine has a molecular weight of 382.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 95800690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).