6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H11ClF3N3 — CID 62483983

IUPAC6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1cc(Cl)nc(C)n1
InChIInChI=1S/C9H11ClF3N3/c1-3-16(5-9(11,12)13)8-4-7(10)14-6(2)15-8/h4H,3,5H2,1-2H3
InChIKeyXMIISHTYNBHMGD-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.83
Rot. Bonds3

About 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 62483983) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID62483983
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1cc(Cl)nc(C)n1
InChIInChI=1S/C9H11ClF3N3/c1-3-16(5-9(11,12)13)8-4-7(10)14-6(2)15-8/h4H,3,5H2,1-2H3
InChIKeyXMIISHTYNBHMGD-UHFFFAOYSA-N
XLogP2.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 62483983) is 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCN(CC(F)(F)F)c1cc(Cl)nc(C)n1.
What is the InChIKey of 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is XMIISHTYNBHMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-3-16(5-9(11,12)13)8-4-7(10)14-6(2)15-8/h4H,3,5H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 253.65 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 62483983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).