1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol

C11H18FN3O — CID 103880048

IUPAC1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCc1ncnc(NCC(C)(O)CC)c1F
InChIInChI=1S/C11H18FN3O/c1-4-8-9(12)10(15-7-14-8)13-6-11(3,16)5-2/h7,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyFPNFFBWBBORGSD-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.75
Rot. Bonds5

About 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol

1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 103880048) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
PubChem CID103880048
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCc1ncnc(NCC(C)(O)CC)c1F
InChIInChI=1S/C11H18FN3O/c1-4-8-9(12)10(15-7-14-8)13-6-11(3,16)5-2/h7,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyFPNFFBWBBORGSD-UHFFFAOYSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-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 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol (CID 103880048) is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol is CCc1ncnc(NCC(C)(O)CC)c1F.
What is the InChIKey of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is FPNFFBWBBORGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-4-8-9(12)10(15-7-14-8)13-6-11(3,16)5-2/h7,16H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 103880048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).