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

C8H9ClF3N3 — CID 58336991

IUPAC6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3/c1-4(2)13-6-3-5(9)14-7(15-6)8(10,11)12/h3-4H,1-2H3,(H,13,14,15)
InChIKeyLBZJAMNXBJQNBZ-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.97
Rot. Bonds2

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

6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 58336991) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID58336991
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3/c1-4(2)13-6-3-5(9)14-7(15-6)8(10,11)12/h3-4H,1-2H3,(H,13,14,15)
InChIKeyLBZJAMNXBJQNBZ-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine (CID 58336991) is 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LBZJAMNXBJQNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-4(2)13-6-3-5(9)14-7(15-6)8(10,11)12/h3-4H,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 239.63 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 58336991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).