2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C12H8Cl2F3N3 — CID 79632925

IUPAC2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H8Cl2F3N3/c13-9-6-19-11(14)20-10(9)18-5-7-3-1-2-4-8(7)12(15,16)17/h1-4,6H,5H2,(H,18,19,20)
InChIKeyHQOJFEYYLYKLQZ-UHFFFAOYSA-N
MW322.12 g/mol
LogP4.41
Rot. Bonds3

About 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 79632925) has the molecular formula C12H8Cl2F3N3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID79632925
Molecular FormulaC12H8Cl2F3N3
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H8Cl2F3N3/c13-9-6-19-11(14)20-10(9)18-5-7-3-1-2-4-8(7)12(15,16)17/h1-4,6H,5H2,(H,18,19,20)
InChIKeyHQOJFEYYLYKLQZ-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 79632925) is 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1CNc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is HQOJFEYYLYKLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3/c13-9-6-19-11(14)20-10(9)18-5-7-3-1-2-4-8(7)12(15,16)17/h1-4,6H,5H2,(H,18,19,20).
What are the key properties of 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 322.12 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 79632925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).