5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine

C15H14Cl2F3N3 — CID 67890705

IUPAC5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NC(C)Cc2ccc(Cl)cc2C(F)(F)F)c1Cl
InChIInChI=1S/C15H14Cl2F3N3/c1-8(23-14-13(17)9(2)21-7-22-14)5-10-3-4-11(16)6-12(10)15(18,19)20/h3-4,6-8H,5H2,1-2H3,(H,21,22,23)
InChIKeyDYHCBYMGHXSOLD-UHFFFAOYSA-N
MW364.20 g/mol
LogP5.15
Rot. Bonds4

About 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine

5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine (PubChem CID 67890705) has the molecular formula C15H14Cl2F3N3 and a molecular weight of 364.20 g/mol. Its IUPAC name is 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine
PubChem CID67890705
Molecular FormulaC15H14Cl2F3N3
Molecular Weight364.20 g/mol
Exact Mass363.05
IUPAC Name5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NC(C)Cc2ccc(Cl)cc2C(F)(F)F)c1Cl
InChIInChI=1S/C15H14Cl2F3N3/c1-8(23-14-13(17)9(2)21-7-22-14)5-10-3-4-11(16)6-12(10)15(18,19)20/h3-4,6-8H,5H2,1-2H3,(H,21,22,23)
InChIKeyDYHCBYMGHXSOLD-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.20
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine (CID 67890705) is 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine is Cc1ncnc(NC(C)Cc2ccc(Cl)cc2C(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine?
The InChIKey is DYHCBYMGHXSOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F3N3/c1-8(23-14-13(17)9(2)21-7-22-14)5-10-3-4-11(16)6-12(10)15(18,19)20/h3-4,6-8H,5H2,1-2H3,(H,21,22,23).
What are the key properties of 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine?
5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine has a molecular weight of 364.20 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[4-chloro-2-(trifluoromethyl)phenyl]propan-2-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 67890705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).