4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine

C13H13F3N4O — CID 114563485

IUPAC4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Oc1cncc(-c2cc(C(F)(F)F)nc(N)n2)c1
InChIInChI=1S/C13H13F3N4O/c1-7(2)21-9-3-8(5-18-6-9)10-4-11(13(14,15)16)20-12(17)19-10/h3-7H,1-2H3,(H2,17,19,20)
InChIKeyOWVQKDMIWOEADC-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.93
Rot. Bonds3

About 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563485) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563485
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Oc1cncc(-c2cc(C(F)(F)F)nc(N)n2)c1
InChIInChI=1S/C13H13F3N4O/c1-7(2)21-9-3-8(5-18-6-9)10-4-11(13(14,15)16)20-12(17)19-10/h3-7H,1-2H3,(H2,17,19,20)
InChIKeyOWVQKDMIWOEADC-UHFFFAOYSA-N
XLogP2.93
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563485) is 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine is CC(C)Oc1cncc(-c2cc(C(F)(F)F)nc(N)n2)c1.
What is the InChIKey of 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OWVQKDMIWOEADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-7(2)21-9-3-8(5-18-6-9)10-4-11(13(14,15)16)20-12(17)19-10/h3-7H,1-2H3,(H2,17,19,20).
What are the key properties of 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 298.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).