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

C10H11ClF3N3 — CID 80970093

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC(F)(F)F
InChIInChI=1S/C10H11ClF3N3/c1-5-7(11)16-9(6-2-3-6)17-8(5)15-4-10(12,13)14/h6H,2-4H2,1H3,(H,15,16,17)
InChIKeyYGRPGPBYBPZALA-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.29
Rot. Bonds3

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

6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80970093) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80970093
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC(F)(F)F
InChIInChI=1S/C10H11ClF3N3/c1-5-7(11)16-9(6-2-3-6)17-8(5)15-4-10(12,13)14/h6H,2-4H2,1H3,(H,15,16,17)
InChIKeyYGRPGPBYBPZALA-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80970093) is 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCC(F)(F)F.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is YGRPGPBYBPZALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c1-5-7(11)16-9(6-2-3-6)17-8(5)15-4-10(12,13)14/h6H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 265.67 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80970093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).