N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine

C15H18F3N5O — CID 118781208

IUPACN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nn1CCNc1cc(C2CCOC2)ncn1
InChIInChI=1S/C15H18F3N5O/c1-10-6-13(15(16,17)18)22-23(10)4-3-19-14-7-12(20-9-21-14)11-2-5-24-8-11/h6-7,9,11H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyWTKFJEUULNHRSC-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.62
Rot. Bonds5

About N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine

N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 118781208) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID118781208
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nn1CCNc1cc(C2CCOC2)ncn1
InChIInChI=1S/C15H18F3N5O/c1-10-6-13(15(16,17)18)22-23(10)4-3-19-14-7-12(20-9-21-14)11-2-5-24-8-11/h6-7,9,11H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyWTKFJEUULNHRSC-UHFFFAOYSA-N
XLogP2.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine (CID 118781208) is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine is Cc1cc(C(F)(F)F)nn1CCNc1cc(C2CCOC2)ncn1.
What is the InChIKey of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is WTKFJEUULNHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10-6-13(15(16,17)18)22-23(10)4-3-19-14-7-12(20-9-21-14)11-2-5-24-8-11/h6-7,9,11H,2-5,8H2,1H3,(H,19,20,21).
What are the key properties of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine?
N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 341.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 118781208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).