5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

C12H17F3N4 — CID 63208075

IUPAC5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NCC2CCN(CC(F)(F)F)C2)nc1
InChIInChI=1S/C12H17F3N4/c1-9-4-16-11(17-5-9)18-6-10-2-3-19(7-10)8-12(13,14)15/h4-5,10H,2-3,6-8H2,1H3,(H,16,17,18)
InChIKeyVOMCLGFQZVUEGE-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.08
Rot. Bonds4

About 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 63208075) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID63208075
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NCC2CCN(CC(F)(F)F)C2)nc1
InChIInChI=1S/C12H17F3N4/c1-9-4-16-11(17-5-9)18-6-10-2-3-19(7-10)8-12(13,14)15/h4-5,10H,2-3,6-8H2,1H3,(H,16,17,18)
InChIKeyVOMCLGFQZVUEGE-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (CID 63208075) is 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is Cc1cnc(NCC2CCN(CC(F)(F)F)C2)nc1.
What is the InChIKey of 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is VOMCLGFQZVUEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-9-4-16-11(17-5-9)18-6-10-2-3-19(7-10)8-12(13,14)15/h4-5,10H,2-3,6-8H2,1H3,(H,16,17,18).
What are the key properties of 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 63208075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).