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

C10H10F3N5O — CID 106774696

IUPACN-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Oc2cc(C)[nH]n2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O/c1-5-3-8(18-17-5)19-7-4-6(14-2)15-9(16-7)10(11,12)13/h3-4H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyBYFFGWDRDWEKHG-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.36
Rot. Bonds3

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

N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774696) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774696
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC NameN-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Oc2cc(C)[nH]n2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O/c1-5-3-8(18-17-5)19-7-4-6(14-2)15-9(16-7)10(11,12)13/h3-4H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyBYFFGWDRDWEKHG-UHFFFAOYSA-N
XLogP2.36
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774696) is N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Oc2cc(C)[nH]n2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BYFFGWDRDWEKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-5-3-8(18-17-5)19-7-4-6(14-2)15-9(16-7)10(11,12)13/h3-4H,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 273.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).