(Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine

C19H22BrN9 — CID 139358440

IUPAC(Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C1C
InChIInChI=1S/C19H22BrN9/c1-11-9-28(12(2)18(26-11)13(5-21)6-22)16-3-4-23-19(27-16)14-7-25-17-8-24-15(20)10-29(14)17/h3-8,10-12,18,21,26H,9,22H2,1-2H3/b13-6+,21-5+
InChIKeyXXJXMPAFBIEHNW-NTYXFPPFSA-N
MW456.35 g/mol
LogP2.00
Rot. Bonds4

About (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 139358440) has the molecular formula C19H22BrN9 and a molecular weight of 456.35 g/mol. Its IUPAC name is (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
PubChem CID139358440
Molecular FormulaC19H22BrN9
Molecular Weight456.35 g/mol
Exact Mass455.12
IUPAC Name(Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C1C
InChIInChI=1S/C19H22BrN9/c1-11-9-28(12(2)18(26-11)13(5-21)6-22)16-3-4-23-19(27-16)14-7-25-17-8-24-15(20)10-29(14)17/h3-8,10-12,18,21,26H,9,22H2,1-2H3/b13-6+,21-5+
InChIKeyXXJXMPAFBIEHNW-NTYXFPPFSA-N
XLogP2.00
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine with MolForge

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Related Compounds

(Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane
CID 153330909
(Z)-3-[4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-4-iminobut-2-en-2-amine
CID 139357934
(E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
CID 153331529
(Z)-2-[(8aS)-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-yl]-3-iminoprop-1-en-1-amine
CID 139357773
6-bromo-3-[4-[2,4-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139359577
(Z)-4-imino-3-[6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pent-2-en-2-amine
CID 139357775
[(E)-3-amino-2-[4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methylmorpholin-2-yl]prop-2-enylidene]azanium
CID 153330893
(Z)-4-imino-3-[3-methyl-1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]but-2-en-2-amine
CID 153331540
6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167611218
3-[4-[(3R,5R)-3-methyl-5-(3-methylimidazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 153418447
5-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343586
bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 159300050

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine (CID 139358440) is (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C)CN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C1C.
What is the InChIKey of (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is XXJXMPAFBIEHNW-NTYXFPPFSA-N. The full InChI is InChI=1S/C19H22BrN9/c1-11-9-28(12(2)18(26-11)13(5-21)6-22)16-3-4-23-19(27-16)14-7-25-17-8-24-15(20)10-29(14)17/h3-8,10-12,18,21,26H,9,22H2,1-2H3/b13-6+,21-5+.
What are the key properties of (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 456.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139358440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).