[(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

C18H20ClN8O+ — CID 153330893

IUPAC[(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
SMILESCC1C(/C(C=[NH2+])=C/N)OCCN1c1ccnc(-c2cnc3cnc(Cl)cn23)n1
InChIInChI=1S/C18H19ClN8O/c1-11-17(12(6-20)7-21)28-5-4-26(11)15-2-3-22-18(25-15)13-8-24-16-9-23-14(19)10-27(13)16/h2-3,6-11,17,20H,4-5,21H2,1H3/p+1/b12-7+,20-6?
InChIKeyXGEVIHXBDZKUSE-SQXDJPEQSA-O
MW399.87 g/mol
LogP0.11
Rot. Bonds4

About [(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

[(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 (PubChem CID 153330893) has the molecular formula C18H20ClN8O+ and a molecular weight of 399.87 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID153330893
Molecular FormulaC18H20ClN8O+
Molecular Weight399.87 g/mol
Exact Mass399.14
IUPAC Name[(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
SMILESCC1C(/C(C=[NH2+])=C/N)OCCN1c1ccnc(-c2cnc3cnc(Cl)cn23)n1
InChIInChI=1S/C18H19ClN8O/c1-11-17(12(6-20)7-21)28-5-4-26(11)15-2-3-22-18(25-15)13-8-24-16-9-23-14(19)10-27(13)16/h2-3,6-11,17,20H,4-5,21H2,1H3/p+1/b12-7+,20-6?
InChIKeyXGEVIHXBDZKUSE-SQXDJPEQSA-O
XLogP0.11
TPSA120.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.87
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

(2S,3R)-4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 175064738
(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
3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
CID 139359092
(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
(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
(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine
CID 153331546
1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide
CID 139356979
6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358791
(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
CID 139344427
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 139357987
2-pyridin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139359763

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC1C(/C(C=[NH2+])=C/N)OCCN1c1ccnc(-c2cnc3cnc(Cl)cn23)n1.
What is the InChIKey of [(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?
The InChIKey is XGEVIHXBDZKUSE-SQXDJPEQSA-O. The full InChI is InChI=1S/C18H19ClN8O/c1-11-17(12(6-20)7-21)28-5-4-26(11)15-2-3-22-18(25-15)13-8-24-16-9-23-14(19)10-27(13)16/h2-3,6-11,17,20H,4-5,21H2,1H3/p+1/b12-7+,20-6?.
What are the key properties of [(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?
[(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 has a molecular weight of 399.87 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 153330893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).