N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C13H16F3N3 — CID 62734407

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CC3CCC2C3)n1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)11-3-4-17-12(19-11)18-7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2,(H,17,18,19)
InChIKeyZHIRHTZTBWIPTH-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.34
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 62734407) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID62734407
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CC3CCC2C3)n1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)11-3-4-17-12(19-11)18-7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2,(H,17,18,19)
InChIKeyZHIRHTZTBWIPTH-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 62734407) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZHIRHTZTBWIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)11-3-4-17-12(19-11)18-7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2,(H,17,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 271.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 62734407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).