4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C7H6Cl2F3N3 — CID 164907970

IUPAC4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESNc1nc(Cl)c(CCC(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H6Cl2F3N3/c8-4-3(1-2-7(10,11)12)5(9)15-6(13)14-4/h1-2H2,(H2,13,14,15)
InChIKeyBLOYKJNCZVMMKN-UHFFFAOYSA-N
MW260.05 g/mol
LogP2.86
Rot. Bonds2

About 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine

4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 164907970) has the molecular formula C7H6Cl2F3N3 and a molecular weight of 260.05 g/mol. Its IUPAC name is 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID164907970
Molecular FormulaC7H6Cl2F3N3
Molecular Weight260.05 g/mol
Exact Mass258.99
IUPAC Name4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESNc1nc(Cl)c(CCC(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H6Cl2F3N3/c8-4-3(1-2-7(10,11)12)5(9)15-6(13)14-4/h1-2H2,(H2,13,14,15)
InChIKeyBLOYKJNCZVMMKN-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 164907970) is 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine is Nc1nc(Cl)c(CCC(F)(F)F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is BLOYKJNCZVMMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F3N3/c8-4-3(1-2-7(10,11)12)5(9)15-6(13)14-4/h1-2H2,(H2,13,14,15).
What are the key properties of 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 260.05 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 164907970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).