6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine

C8H10F3N3 — CID 67510991

IUPAC6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-4(2)5-3-6(12)14-7(13-5)8(9,10)11/h3-4H,1-2H3,(H2,12,13,14)
InChIKeySXVRQJZFJGYSCA-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.20
Rot. Bonds1

About 6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine

6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 67510991) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID67510991
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-4(2)5-3-6(12)14-7(13-5)8(9,10)11/h3-4H,1-2H3,(H2,12,13,14)
InChIKeySXVRQJZFJGYSCA-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.20
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-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine (CID 67510991) is 6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SXVRQJZFJGYSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-4(2)5-3-6(12)14-7(13-5)8(9,10)11/h3-4H,1-2H3,(H2,12,13,14).
What are the key properties of 6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 205.18 g/mol, XLogP of 2.20, 1 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-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 67510991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).