5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine

C19H25FN4O — CID 56872108

IUPAC5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCOC(Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H25FN4O/c1-2-6-21-19-22-11-16(12-23-19)13-24-7-8-25-18(14-24)10-15-4-3-5-17(20)9-15/h3-5,9,11-12,18H,2,6-8,10,13-14H2,1H3,(H,21,22,23)
InChIKeyQSFBRDTXJYUFDZ-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.88
Rot. Bonds7

About 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine

5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine (PubChem CID 56872108) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
PubChem CID56872108
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCOC(Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H25FN4O/c1-2-6-21-19-22-11-16(12-23-19)13-24-7-8-25-18(14-24)10-15-4-3-5-17(20)9-15/h3-5,9,11-12,18H,2,6-8,10,13-14H2,1H3,(H,21,22,23)
InChIKeyQSFBRDTXJYUFDZ-UHFFFAOYSA-N
XLogP2.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-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-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine (CID 56872108) is 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN2CCOC(Cc3cccc(F)c3)C2)cn1.
What is the InChIKey of 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is QSFBRDTXJYUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-2-6-21-19-22-11-16(12-23-19)13-24-7-8-25-18(14-24)10-15-4-3-5-17(20)9-15/h3-5,9,11-12,18H,2,6-8,10,13-14H2,1H3,(H,21,22,23).
What are the key properties of 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine?
5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 344.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 56872108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).