5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine

C10H6ClF3N4 — CID 1483168

IUPAC5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1
InChIInChI=1S/C10H6ClF3N4/c11-7-1-6(10(12,13)14)4-16-8(7)5-2-17-9(15)18-3-5/h1-4H,(H2,15,17,18)
InChIKeyQONSTICETYKNTD-UHFFFAOYSA-N
MW274.63 g/mol
LogP2.79
Rot. Bonds1

About 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine

5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 1483168) has the molecular formula C10H6ClF3N4 and a molecular weight of 274.63 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID1483168
Molecular FormulaC10H6ClF3N4
Molecular Weight274.63 g/mol
Exact Mass274.02
IUPAC Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1
InChIInChI=1S/C10H6ClF3N4/c11-7-1-6(10(12,13)14)4-16-8(7)5-2-17-9(15)18-3-5/h1-4H,(H2,15,17,18)
InChIKeyQONSTICETYKNTD-UHFFFAOYSA-N
XLogP2.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine (CID 1483168) is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is QONSTICETYKNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4/c11-7-1-6(10(12,13)14)4-16-8(7)5-2-17-9(15)18-3-5/h1-4H,(H2,15,17,18).
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 274.63 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 1483168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).