N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C12H14F3N3 — CID 20552316

IUPACN-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFC(F)(F)C(NC1=NCCCN1)c1ccccc1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)10(9-5-2-1-3-6-9)18-11-16-7-4-8-17-11/h1-3,5-6,10H,4,7-8H2,(H2,16,17,18)
InChIKeyRKMWZCGVKBTJDZ-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.23
Rot. Bonds2

About N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 20552316) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID20552316
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFC(F)(F)C(NC1=NCCCN1)c1ccccc1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)10(9-5-2-1-3-6-9)18-11-16-7-4-8-17-11/h1-3,5-6,10H,4,7-8H2,(H2,16,17,18)
InChIKeyRKMWZCGVKBTJDZ-UHFFFAOYSA-N
XLogP2.23
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 20552316) is N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is FC(F)(F)C(NC1=NCCCN1)c1ccccc1.
What is the InChIKey of N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is RKMWZCGVKBTJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c13-12(14,15)10(9-5-2-1-3-6-9)18-11-16-7-4-8-17-11/h1-3,5-6,10H,4,7-8H2,(H2,16,17,18).
What are the key properties of N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 257.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 20552316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).