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

C11H13ClF3N3 — CID 55231617

IUPAC6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H13ClF3N3/c1-6-9(12)16-7(2)17-10(6)18(8-3-4-8)5-11(13,14)15/h8H,3-5H2,1-2H3
InChIKeyIKPWGRUVJRSGBT-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.28
Rot. Bonds3

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

6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 55231617) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID55231617
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H13ClF3N3/c1-6-9(12)16-7(2)17-10(6)18(8-3-4-8)5-11(13,14)15/h8H,3-5H2,1-2H3
InChIKeyIKPWGRUVJRSGBT-UHFFFAOYSA-N
XLogP3.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 55231617) is 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is IKPWGRUVJRSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-6-9(12)16-7(2)17-10(6)18(8-3-4-8)5-11(13,14)15/h8H,3-5H2,1-2H3.
What are the key properties of 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 279.69 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 55231617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).