4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol

C16H20FN3O — CID 133495880

IUPAC4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
SMILESCCc1ncnc(NCCC(C)(O)c2ccccc2)c1F
InChIInChI=1S/C16H20FN3O/c1-3-13-14(17)15(20-11-19-13)18-10-9-16(2,21)12-7-5-4-6-8-12/h4-8,11,21H,3,9-10H2,1-2H3,(H,18,19,20)
InChIKeyIMRVBQAPPFGPBB-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.89
Rot. Bonds6

About 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol

4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol (PubChem CID 133495880) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
PubChem CID133495880
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
SMILESCCc1ncnc(NCCC(C)(O)c2ccccc2)c1F
InChIInChI=1S/C16H20FN3O/c1-3-13-14(17)15(20-11-19-13)18-10-9-16(2,21)12-7-5-4-6-8-12/h4-8,11,21H,3,9-10H2,1-2H3,(H,18,19,20)
InChIKeyIMRVBQAPPFGPBB-UHFFFAOYSA-N
XLogP2.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol 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-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol?
The IUPAC name of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol (CID 133495880) is 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol.
What is the SMILES notation for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol?
The canonical SMILES for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol is CCc1ncnc(NCCC(C)(O)c2ccccc2)c1F.
What is the InChIKey of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol?
The InChIKey is IMRVBQAPPFGPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-13-14(17)15(20-11-19-13)18-10-9-16(2,21)12-7-5-4-6-8-12/h4-8,11,21H,3,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol?
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol is sourced from PubChem (CID 133495880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).