6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C14H14F3N3O — CID 62202462

IUPAC6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-2-5-9-8-12(18)20-13(19-9)10-6-3-4-7-11(10)21-14(15,16)17/h3-4,6-8H,2,5H2,1H3,(H2,18,19,20)
InChIKeyBYVGEUJWHHPAHU-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.58
Rot. Bonds4

About 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 62202462) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID62202462
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-2-5-9-8-12(18)20-13(19-9)10-6-3-4-7-11(10)21-14(15,16)17/h3-4,6-8H,2,5H2,1H3,(H2,18,19,20)
InChIKeyBYVGEUJWHHPAHU-UHFFFAOYSA-N
XLogP3.58
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 62202462) is 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine is CCCc1cc(N)nc(-c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is BYVGEUJWHHPAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-5-9-8-12(18)20-13(19-9)10-6-3-4-7-11(10)21-14(15,16)17/h3-4,6-8H,2,5H2,1H3,(H2,18,19,20).
What are the key properties of 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 297.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62202462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).