4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

C15H24F3N5O2 — CID 88898150

IUPAC4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[2H]C1[C@H](NC)CCN1c1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C13H23N5.C2HF3O2/c1-13(2,3)10-7-11(17-12(14)16-10)18-6-5-9(8-18)15-4;3-2(4,5)1(6)7/h7,9,15H,5-6,8H2,1-4H3,(H2,14,16,17);(H,6,7)/t9-;/m1./s1/i8D;/t8?,9-;
InChIKeyYRESPPFOYQSNLF-CQFWVLDQSA-N
MW364.39 g/mol
LogP1.79
Rot. Bonds2

About 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 88898150) has the molecular formula C15H24F3N5O2 and a molecular weight of 364.39 g/mol. Its IUPAC name is 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID88898150
Molecular FormulaC15H24F3N5O2
Molecular Weight364.39 g/mol
Exact Mass364.19
IUPAC Name4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[2H]C1[C@H](NC)CCN1c1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C13H23N5.C2HF3O2/c1-13(2,3)10-7-11(17-12(14)16-10)18-6-5-9(8-18)15-4;3-2(4,5)1(6)7/h7,9,15H,5-6,8H2,1-4H3,(H2,14,16,17);(H,6,7)/t9-;/m1./s1/i8D;/t8?,9-;
InChIKeyYRESPPFOYQSNLF-CQFWVLDQSA-N
XLogP1.79
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 88898150) is 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[2H]C1[C@H](NC)CCN1c1cc(C(C)(C)C)nc(N)n1.
What is the InChIKey of 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is YRESPPFOYQSNLF-CQFWVLDQSA-N. The full InChI is InChI=1S/C13H23N5.C2HF3O2/c1-13(2,3)10-7-11(17-12(14)16-10)18-6-5-9(8-18)15-4;3-2(4,5)1(6)7/h7,9,15H,5-6,8H2,1-4H3,(H2,14,16,17);(H,6,7)/t9-;/m1./s1/i8D;/t8?,9-;.
What are the key properties of 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 364.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[(3R)-2-deuterio-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 88898150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).