6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H9ClF3N5 — CID 106767581

IUPAC6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nccc(CNc2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H9ClF3N5/c1-6-16-3-2-7(18-6)5-17-9-4-8(12)19-10(20-9)11(13,14)15/h2-4H,5H2,1H3,(H,17,19,20)
InChIKeyXTMBDSHCHXZZDM-UHFFFAOYSA-N
MW303.68 g/mol
LogP2.86
Rot. Bonds3

About 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767581) has the molecular formula C11H9ClF3N5 and a molecular weight of 303.68 g/mol. Its IUPAC name is 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767581
Molecular FormulaC11H9ClF3N5
Molecular Weight303.68 g/mol
Exact Mass303.05
IUPAC Name6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nccc(CNc2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H9ClF3N5/c1-6-16-3-2-7(18-6)5-17-9-4-8(12)19-10(20-9)11(13,14)15/h2-4H,5H2,1H3,(H,17,19,20)
InChIKeyXTMBDSHCHXZZDM-UHFFFAOYSA-N
XLogP2.86
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767581) is 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1nccc(CNc2cc(Cl)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XTMBDSHCHXZZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5/c1-6-16-3-2-7(18-6)5-17-9-4-8(12)19-10(20-9)11(13,14)15/h2-4H,5H2,1H3,(H,17,19,20).
What are the key properties of 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.68 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).