4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol

C11H18FN3O — CID 103880365

IUPAC4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
SMILESCCc1ncnc(NC(C)CCCO)c1F
InChIInChI=1S/C11H18FN3O/c1-3-9-10(12)11(14-7-13-9)15-8(2)5-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYOYXYEBSNLIRSR-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.75
Rot. Bonds6

About 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol

4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 103880365) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
PubChem CID103880365
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
SMILESCCc1ncnc(NC(C)CCCO)c1F
InChIInChI=1S/C11H18FN3O/c1-3-9-10(12)11(14-7-13-9)15-8(2)5-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYOYXYEBSNLIRSR-UHFFFAOYSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 80852599
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 113344408
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
CID 125136142

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol (CID 103880365) is 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol is CCc1ncnc(NC(C)CCCO)c1F.
What is the InChIKey of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is YOYXYEBSNLIRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-3-9-10(12)11(14-7-13-9)15-8(2)5-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol?
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.75, 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]pentan-1-ol is sourced from PubChem (CID 103880365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).