(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine

C18H18F2N8O — CID 139357665

IUPAC(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C18H18F2N8O/c19-17(20)12-9-28-13(7-25-16(28)8-24-12)18-23-2-1-15(26-18)27-3-4-29-14(10-27)11(5-21)6-22/h1-2,5-9,14,17,21H,3-4,10,22H2/b11-6+,21-5+
InChIKeySPWRRSUWUWVJIV-NZVLXMKPSA-N
MW400.39 g/mol
LogP1.82
Rot. Bonds5

About (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine

(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 139357665) has the molecular formula C18H18F2N8O and a molecular weight of 400.39 g/mol. Its IUPAC name is (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
PubChem CID139357665
Molecular FormulaC18H18F2N8O
Molecular Weight400.39 g/mol
Exact Mass400.16
IUPAC Name(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C18H18F2N8O/c19-17(20)12-9-28-13(7-25-16(28)8-24-12)18-23-2-1-15(26-18)27-3-4-29-14(10-27)11(5-21)6-22/h1-2,5-9,14,17,21H,3-4,10,22H2/b11-6+,21-5+
InChIKeySPWRRSUWUWVJIV-NZVLXMKPSA-N
XLogP1.82
TPSA118.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine (CID 139357665) is (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1.
What is the InChIKey of (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is SPWRRSUWUWVJIV-NZVLXMKPSA-N. The full InChI is InChI=1S/C18H18F2N8O/c19-17(20)12-9-28-13(7-25-16(28)8-24-12)18-23-2-1-15(26-18)27-3-4-29-14(10-27)11(5-21)6-22/h1-2,5-9,14,17,21H,3-4,10,22H2/b11-6+,21-5+.
What are the key properties of (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine?
(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 400.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139357665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).