N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

C12H14F3N5O — CID 106774806

IUPACN-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Oc2cnn(C(C)C)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-7(2)20-6-8(5-17-20)21-10-4-9(16-3)18-11(19-10)12(13,14)15/h4-7H,1-3H3,(H,16,18,19)
InChIKeyQXUOWUKIWNERNY-UHFFFAOYSA-N
MW301.27 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774806) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774806
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Oc2cnn(C(C)C)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-7(2)20-6-8(5-17-20)21-10-4-9(16-3)18-11(19-10)12(13,14)15/h4-7H,1-3H3,(H,16,18,19)
InChIKeyQXUOWUKIWNERNY-UHFFFAOYSA-N
XLogP3.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774806) is N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Oc2cnn(C(C)C)c2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QXUOWUKIWNERNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-7(2)20-6-8(5-17-20)21-10-4-9(16-3)18-11(19-10)12(13,14)15/h4-7H,1-3H3,(H,16,18,19).
What are the key properties of N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).