2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine

C18H21F3N8 — CID 171998000

IUPAC2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)n1
InChIInChI=1S/C18H21F3N8/c1-26(2)14-4-6-23-17(25-14)27(3)12-5-8-28(10-12)15-16-24-13(18(19,20)21)11-29(16)9-7-22-15/h4,6-7,9,11-12H,5,8,10H2,1-3H3
InChIKeyALSUUPGIOILXIT-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.32
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 171998000) has the molecular formula C18H21F3N8 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
PubChem CID171998000
Molecular FormulaC18H21F3N8
Molecular Weight406.42 g/mol
Exact Mass406.18
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)n1
InChIInChI=1S/C18H21F3N8/c1-26(2)14-4-6-23-17(25-14)27(3)12-5-8-28(10-12)15-16-24-13(18(19,20)21)11-29(16)9-7-22-15/h4,6-7,9,11-12H,5,8,10H2,1-3H3
InChIKeyALSUUPGIOILXIT-UHFFFAOYSA-N
XLogP2.32
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine (CID 171998000) is 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine is CN(C)c1ccnc(N(C)C2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is ALSUUPGIOILXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N8/c1-26(2)14-4-6-23-17(25-14)27(3)12-5-8-28(10-12)15-16-24-13(18(19,20)21)11-29(16)9-7-22-15/h4,6-7,9,11-12H,5,8,10H2,1-3H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 406.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171998000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).