4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3O — CID 129265029

IUPAC4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)[C@@H](C)Oc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-5(2)6(3)17-8-7(10(11,12)13)4-15-9(14)16-8/h4-6H,1-3H3,(H2,14,15,16)/t6-/m1/s1
InChIKeyVCNJOFUYBKOZGY-ZCFIWIBFSA-N
MW249.24 g/mol
LogP2.50
Rot. Bonds3

About 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine

4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 129265029) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID129265029
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)[C@@H](C)Oc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-5(2)6(3)17-8-7(10(11,12)13)4-15-9(14)16-8/h4-6H,1-3H3,(H2,14,15,16)/t6-/m1/s1
InChIKeyVCNJOFUYBKOZGY-ZCFIWIBFSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine (CID 129265029) is 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine is CC(C)[C@@H](C)Oc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VCNJOFUYBKOZGY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-5(2)6(3)17-8-7(10(11,12)13)4-15-9(14)16-8/h4-6H,1-3H3,(H2,14,15,16)/t6-/m1/s1.
What are the key properties of 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine?
4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 129265029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).