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

C12H14F3N5O — CID 106774694

IUPAC6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Oc2cc(C)[nH]n2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-3-4-16-8-6-9(18-11(17-8)12(13,14)15)21-10-5-7(2)19-20-10/h5-6H,3-4H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyDQTXUYBZFQNDDA-UHFFFAOYSA-N
MW301.27 g/mol
LogP3.14
Rot. Bonds5

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

6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774694) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774694
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Oc2cc(C)[nH]n2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-3-4-16-8-6-9(18-11(17-8)12(13,14)15)21-10-5-7(2)19-20-10/h5-6H,3-4H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyDQTXUYBZFQNDDA-UHFFFAOYSA-N
XLogP3.14
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774694) is 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Oc2cc(C)[nH]n2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DQTXUYBZFQNDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-3-4-16-8-6-9(18-11(17-8)12(13,14)15)21-10-5-7(2)19-20-10/h5-6H,3-4H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).