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

C12H15ClF3N3 — CID 80971615

IUPAC6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C12H15ClF3N3/c1-3-19(6-12(14,15)16)11-7(2)9(13)17-10(18-11)8-4-5-8/h8H,3-6H2,1-2H3
InChIKeyQBDMIBVMFNLAFE-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.70
Rot. Bonds4

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

6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80971615) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80971615
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C12H15ClF3N3/c1-3-19(6-12(14,15)16)11-7(2)9(13)17-10(18-11)8-4-5-8/h8H,3-6H2,1-2H3
InChIKeyQBDMIBVMFNLAFE-UHFFFAOYSA-N
XLogP3.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80971615) is 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCN(CC(F)(F)F)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is QBDMIBVMFNLAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c1-3-19(6-12(14,15)16)11-7(2)9(13)17-10(18-11)8-4-5-8/h8H,3-6H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 293.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80971615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).