N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C15H18F3N5 — CID 56870118

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(CCNc2nccc(CCC(F)(F)F)n2)n1
InChIInChI=1S/C15H18F3N5/c1-10-9-11(2)22-13(21-10)5-8-20-14-19-7-4-12(23-14)3-6-15(16,17)18/h4,7,9H,3,5-6,8H2,1-2H3,(H,19,20,23)
InChIKeyIZLUKGMXPWMZHL-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.03
Rot. Bonds6

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

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56870118) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56870118
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(CCNc2nccc(CCC(F)(F)F)n2)n1
InChIInChI=1S/C15H18F3N5/c1-10-9-11(2)22-13(21-10)5-8-20-14-19-7-4-12(23-14)3-6-15(16,17)18/h4,7,9H,3,5-6,8H2,1-2H3,(H,19,20,23)
InChIKeyIZLUKGMXPWMZHL-UHFFFAOYSA-N
XLogP3.03
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-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 N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56870118) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is Cc1cc(C)nc(CCNc2nccc(CCC(F)(F)F)n2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is IZLUKGMXPWMZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5/c1-10-9-11(2)22-13(21-10)5-8-20-14-19-7-4-12(23-14)3-6-15(16,17)18/h4,7,9H,3,5-6,8H2,1-2H3,(H,19,20,23).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 325.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56870118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).