2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine

C11H15ClF3N3 — CID 114562241

IUPAC2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)CC(C)Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H15ClF3N3/c1-6(2)4-7(3)16-9-5-8(11(13,14)15)17-10(12)18-9/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyLDFYGIVZHUMTNM-UHFFFAOYSA-N
MW281.71 g/mol
LogP4.00
Rot. Bonds4

About 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562241) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562241
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC Name2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)CC(C)Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H15ClF3N3/c1-6(2)4-7(3)16-9-5-8(11(13,14)15)17-10(12)18-9/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyLDFYGIVZHUMTNM-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562241) is 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine is CC(C)CC(C)Nc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LDFYGIVZHUMTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-6(2)4-7(3)16-9-5-8(11(13,14)15)17-10(12)18-9/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 281.71 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).