4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C20H24F3N3 — CID 2823333

IUPAC4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(C)c1cc(-c2cc(C(F)(F)F)nc(N)n2)c2c(c1)C(C)(C)CC2
InChIInChI=1S/C20H24F3N3/c1-18(2,3)11-8-13(12-6-7-19(4,5)14(12)9-11)15-10-16(20(21,22)23)26-17(24)25-15/h8-10H,6-7H2,1-5H3,(H2,24,25,26)
InChIKeyCKAVZFPWBKSRHD-UHFFFAOYSA-N
MW363.43 g/mol
LogP5.27
Rot. Bonds1

About 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2823333) has the molecular formula C20H24F3N3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2823333
Molecular FormulaC20H24F3N3
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(C)c1cc(-c2cc(C(F)(F)F)nc(N)n2)c2c(c1)C(C)(C)CC2
InChIInChI=1S/C20H24F3N3/c1-18(2,3)11-8-13(12-6-7-19(4,5)14(12)9-11)15-10-16(20(21,22)23)26-17(24)25-15/h8-10H,6-7H2,1-5H3,(H2,24,25,26)
InChIKeyCKAVZFPWBKSRHD-UHFFFAOYSA-N
XLogP5.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2823333) is 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CC(C)(C)c1cc(-c2cc(C(F)(F)F)nc(N)n2)c2c(c1)C(C)(C)CC2.
What is the InChIKey of 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CKAVZFPWBKSRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3/c1-18(2,3)11-8-13(12-6-7-19(4,5)14(12)9-11)15-10-16(20(21,22)23)26-17(24)25-15/h8-10H,6-7H2,1-5H3,(H2,24,25,26).
What are the key properties of 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 363.43 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2823333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).