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

C13H17ClF3N3 — CID 80971416

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H17ClF3N3/c1-3-6-20(7-13(15,16)17)12-8(2)10(14)18-11(19-12)9-4-5-9/h9H,3-7H2,1-2H3
InChIKeyPREVDGJSCVSMSL-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.09
Rot. Bonds5

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

6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80971416) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80971416
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H17ClF3N3/c1-3-6-20(7-13(15,16)17)12-8(2)10(14)18-11(19-12)9-4-5-9/h9H,3-7H2,1-2H3
InChIKeyPREVDGJSCVSMSL-UHFFFAOYSA-N
XLogP4.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.09
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-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80971416) is 6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCN(CC(F)(F)F)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is PREVDGJSCVSMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-3-6-20(7-13(15,16)17)12-8(2)10(14)18-11(19-12)9-4-5-9/h9H,3-7H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 307.75 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80971416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).