4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C10H12ClF3N4 — CID 76806871

IUPAC4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCNc1nc(Cl)cc(N2CCCC2C(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N4/c1-15-9-16-7(11)5-8(17-9)18-4-2-3-6(18)10(12,13)14/h5-6H,2-4H2,1H3,(H,15,16,17)
InChIKeyMRCWTUZWSRXLCE-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.70
Rot. Bonds2

About 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine

4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 76806871) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID76806871
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC Name4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCNc1nc(Cl)cc(N2CCCC2C(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N4/c1-15-9-16-7(11)5-8(17-9)18-4-2-3-6(18)10(12,13)14/h5-6H,2-4H2,1H3,(H,15,16,17)
InChIKeyMRCWTUZWSRXLCE-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 76806871) is 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine is CNc1nc(Cl)cc(N2CCCC2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is MRCWTUZWSRXLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c1-15-9-16-7(11)5-8(17-9)18-4-2-3-6(18)10(12,13)14/h5-6H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 280.68 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 76806871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).