6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H11ClF3N3 — CID 63729786

IUPAC6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c1-3-6-7(10)14-5-15-8(6)16(2)4-9(11,12)13/h5H,3-4H2,1-2H3
InChIKeyYPOLRNIKWSTIBK-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.69
Rot. Bonds3

About 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63729786) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63729786
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c1-3-6-7(10)14-5-15-8(6)16(2)4-9(11,12)13/h5H,3-4H2,1-2H3
InChIKeyYPOLRNIKWSTIBK-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63729786) is 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1N(C)CC(F)(F)F.
What is the InChIKey of 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is YPOLRNIKWSTIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-3-6-7(10)14-5-15-8(6)16(2)4-9(11,12)13/h5H,3-4H2,1-2H3.
What are the key properties of 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 253.65 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63729786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).