4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C14H12F3N3 — CID 2823332

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc3c(c2)CCC3)cc(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3/c15-14(16,17)12-7-11(19-13(18)20-12)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,18,19,20)
InChIKeyDLSYTRYADVRKRW-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.23
Rot. Bonds1

About 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2823332) has the molecular formula C14H12F3N3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2823332
Molecular FormulaC14H12F3N3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc3c(c2)CCC3)cc(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3/c15-14(16,17)12-7-11(19-13(18)20-12)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,18,19,20)
InChIKeyDLSYTRYADVRKRW-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2823332) is 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(-c2ccc3c(c2)CCC3)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DLSYTRYADVRKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3/c15-14(16,17)12-7-11(19-13(18)20-12)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,18,19,20).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 279.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2823332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).