6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine

C7H8ClF3N4 — CID 86666563

IUPAC6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CNCC(F)(F)F
InChIInChI=1S/C7H8ClF3N4/c8-5-4(6(12)15-3-14-5)1-13-2-7(9,10)11/h3,13H,1-2H2,(H2,12,14,15)
InChIKeyBQRPZICJBRIUBO-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.36
Rot. Bonds3

About 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine

6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine (PubChem CID 86666563) has the molecular formula C7H8ClF3N4 and a molecular weight of 240.62 g/mol. Its IUPAC name is 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine
PubChem CID86666563
Molecular FormulaC7H8ClF3N4
Molecular Weight240.62 g/mol
Exact Mass240.04
IUPAC Name6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CNCC(F)(F)F
InChIInChI=1S/C7H8ClF3N4/c8-5-4(6(12)15-3-14-5)1-13-2-7(9,10)11/h3,13H,1-2H2,(H2,12,14,15)
InChIKeyBQRPZICJBRIUBO-UHFFFAOYSA-N
XLogP1.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine (CID 86666563) is 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine is Nc1ncnc(Cl)c1CNCC(F)(F)F.
What is the InChIKey of 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine?
The InChIKey is BQRPZICJBRIUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N4/c8-5-4(6(12)15-3-14-5)1-13-2-7(9,10)11/h3,13H,1-2H2,(H2,12,14,15).
What are the key properties of 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine?
6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine has a molecular weight of 240.62 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 86666563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).