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

C11H13ClF3N3 — CID 80970245

IUPAC6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1N(C)CC(F)(F)F
InChIInChI=1S/C11H13ClF3N3/c1-6-8(12)16-9(7-3-4-7)17-10(6)18(2)5-11(13,14)15/h7H,3-5H2,1-2H3
InChIKeyFWLSDWPBHGFAEZ-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.31
Rot. Bonds3

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

6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80970245) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80970245
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1N(C)CC(F)(F)F
InChIInChI=1S/C11H13ClF3N3/c1-6-8(12)16-9(7-3-4-7)17-10(6)18(2)5-11(13,14)15/h7H,3-5H2,1-2H3
InChIKeyFWLSDWPBHGFAEZ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80970245) is 6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1N(C)CC(F)(F)F.
What is the InChIKey of 6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is FWLSDWPBHGFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-6-8(12)16-9(7-3-4-7)17-10(6)18(2)5-11(13,14)15/h7H,3-5H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 279.69 g/mol, XLogP of 3.31, 3 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,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80970245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).