N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

C12H19FN4O — CID 50950437

IUPACN-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCCCNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C12H19FN4O/c1-2-3-4-14-12-15-9-10(13)11(16-12)17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyYFBFDRWHMWAYRL-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.66
Rot. Bonds5

About N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50950437) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50950437
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCCCNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C12H19FN4O/c1-2-3-4-14-12-15-9-10(13)11(16-12)17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyYFBFDRWHMWAYRL-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-5-fluoro-4-morpholin-4-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 N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 50950437) is N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is CCCCNc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is YFBFDRWHMWAYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-3-4-14-12-15-9-10(13)11(16-12)17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,14,15,16).
What are the key properties of N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 254.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50950437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).