6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C12H15ClF3N3O — CID 80971772

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCOCC(F)(F)F
InChIInChI=1S/C12H15ClF3N3O/c1-7-9(13)18-11(8-2-3-8)19-10(7)17-4-5-20-6-12(14,15)16/h8H,2-6H2,1H3,(H,17,18,19)
InChIKeyAMDAJCPMCHJHKZ-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.31
Rot. Bonds6

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

6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 80971772) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID80971772
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCOCC(F)(F)F
InChIInChI=1S/C12H15ClF3N3O/c1-7-9(13)18-11(8-2-3-8)19-10(7)17-4-5-20-6-12(14,15)16/h8H,2-6H2,1H3,(H,17,18,19)
InChIKeyAMDAJCPMCHJHKZ-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 80971772) is 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCCOCC(F)(F)F.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is AMDAJCPMCHJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-7-9(13)18-11(8-2-3-8)19-10(7)17-4-5-20-6-12(14,15)16/h8H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 309.72 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80971772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).