6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H12F3N3 — CID 62192803

IUPAC6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3/c1-5(2)6-3-7(13)15-8(14-6)4-9(10,11)12/h3,5H,4H2,1-2H3,(H2,13,14,15)
InChIKeyVCQCGZJHKCZVJS-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.29
Rot. Bonds2

About 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 62192803) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID62192803
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3/c1-5(2)6-3-7(13)15-8(14-6)4-9(10,11)12/h3,5H,4H2,1-2H3,(H2,13,14,15)
InChIKeyVCQCGZJHKCZVJS-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 62192803) is 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CC(C)c1cc(N)nc(CC(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is VCQCGZJHKCZVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5(2)6-3-7(13)15-8(14-6)4-9(10,11)12/h3,5H,4H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 219.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 62192803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).