2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

C21H29FN4 — CID 42640959

IUPAC2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ccnc(CCc3cccc(F)c3)n2)CC(C)(C)N1
InChIInChI=1S/C21H29FN4/c1-20(2)13-17(14-21(3,4)26-20)24-19-10-11-23-18(25-19)9-8-15-6-5-7-16(22)12-15/h5-7,10-12,17,26H,8-9,13-14H2,1-4H3,(H,23,24,25)
InChIKeySJISWSSCKJVMSR-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 42640959) has the molecular formula C21H29FN4 and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID42640959
Molecular FormulaC21H29FN4
Molecular Weight356.49 g/mol
Exact Mass356.24
IUPAC Name2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ccnc(CCc3cccc(F)c3)n2)CC(C)(C)N1
InChIInChI=1S/C21H29FN4/c1-20(2)13-17(14-21(3,4)26-20)24-19-10-11-23-18(25-19)9-8-15-6-5-7-16(22)12-15/h5-7,10-12,17,26H,8-9,13-14H2,1-4H3,(H,23,24,25)
InChIKeySJISWSSCKJVMSR-UHFFFAOYSA-N
XLogP4.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)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 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (CID 42640959) is 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is CC1(C)CC(Nc2ccnc(CCc3cccc(F)c3)n2)CC(C)(C)N1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is SJISWSSCKJVMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4/c1-20(2)13-17(14-21(3,4)26-20)24-19-10-11-23-18(25-19)9-8-15-6-5-7-16(22)12-15/h5-7,10-12,17,26H,8-9,13-14H2,1-4H3,(H,23,24,25).
What are the key properties of 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 356.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 42640959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).