6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine

C11H14FN5 — CID 103867495

IUPAC6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCn2cccn2)c1F
InChIInChI=1S/C11H14FN5/c1-2-9-10(12)11(15-8-14-9)13-5-7-17-6-3-4-16-17/h3-4,6,8H,2,5,7H2,1H3,(H,13,14,15)
InChIKeyYIFGRAUEMLMBPA-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.49
Rot. Bonds5

About 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine (PubChem CID 103867495) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
PubChem CID103867495
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCn2cccn2)c1F
InChIInChI=1S/C11H14FN5/c1-2-9-10(12)11(15-8-14-9)13-5-7-17-6-3-4-16-17/h3-4,6,8H,2,5,7H2,1H3,(H,13,14,15)
InChIKeyYIFGRAUEMLMBPA-UHFFFAOYSA-N
XLogP1.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-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 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine (CID 103867495) is 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine is CCc1ncnc(NCCn2cccn2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine?
The InChIKey is YIFGRAUEMLMBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-2-9-10(12)11(15-8-14-9)13-5-7-17-6-3-4-16-17/h3-4,6,8H,2,5,7H2,1H3,(H,13,14,15).
What are the key properties of 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine has a molecular weight of 235.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 103867495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).