4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine

C17H19F3N8 — CID 171997964

IUPAC4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)ncn1
InChIInChI=1S/C17H19F3N8/c1-26(2)14-7-13(22-10-23-14)24-11-3-5-27(8-11)15-16-25-12(17(18,19)20)9-28(16)6-4-21-15/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,22,23,24)
InChIKeyMRUMRTCETODWKM-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.29
Rot. Bonds4

About 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine (PubChem CID 171997964) has the molecular formula C17H19F3N8 and a molecular weight of 392.39 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
PubChem CID171997964
Molecular FormulaC17H19F3N8
Molecular Weight392.39 g/mol
Exact Mass392.17
IUPAC Name4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)ncn1
InChIInChI=1S/C17H19F3N8/c1-26(2)14-7-13(22-10-23-14)24-11-3-5-27(8-11)15-16-25-12(17(18,19)20)9-28(16)6-4-21-15/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,22,23,24)
InChIKeyMRUMRTCETODWKM-UHFFFAOYSA-N
XLogP2.29
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine (CID 171997964) is 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(c3nccn4cc(C(F)(F)F)nc34)C2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The InChIKey is MRUMRTCETODWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8/c1-26(2)14-7-13(22-10-23-14)24-11-3-5-27(8-11)15-16-25-12(17(18,19)20)9-28(16)6-4-21-15/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine has a molecular weight of 392.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 171997964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).