1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine

C17H19F2N7O — CID 139358258

IUPAC1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H19F2N7O/c1-10(20)13-9-25(4-5-27-13)14-2-3-21-17(24-14)12-6-23-15-7-22-11(16(18)19)8-26(12)15/h2-3,6-8,10,13,16H,4-5,9,20H2,1H3
InChIKeyGMKSMLFJMUPIIK-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.68
Rot. Bonds4

About 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine

1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine (PubChem CID 139358258) has the molecular formula C17H19F2N7O and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
PubChem CID139358258
Molecular FormulaC17H19F2N7O
Molecular Weight375.38 g/mol
Exact Mass375.16
IUPAC Name1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H19F2N7O/c1-10(20)13-9-25(4-5-27-13)14-2-3-21-17(24-14)12-6-23-15-7-22-11(16(18)19)8-26(12)15/h2-3,6-8,10,13,16H,4-5,9,20H2,1H3
InChIKeyGMKSMLFJMUPIIK-UHFFFAOYSA-N
XLogP1.68
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine (CID 139358258) is 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine is CC(N)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1.
What is the InChIKey of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The InChIKey is GMKSMLFJMUPIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N7O/c1-10(20)13-9-25(4-5-27-13)14-2-3-21-17(24-14)12-6-23-15-7-22-11(16(18)19)8-26(12)15/h2-3,6-8,10,13,16H,4-5,9,20H2,1H3.
What are the key properties of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine?
1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine has a molecular weight of 375.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 139358258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).